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Paper Citation Record · LEDGER

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer

As of 9 August 2026, this Paper Citation Record lists 73 of 73 outbound references and 0 inbound Pith citation observations for arXiv:2512.08390.

A citation records a reference. It does not transfer a finding from one paper to another.

pith.paper-citation-record.v1
2512.08390 v2

Coverage vector

measured 73 of 73 reference resolution

Typed states for the displayed outbound observations.

Source: paper_references, paper_reference_links, observed 2026-08-03T17:47:06.388436Z

measured 73 of 73 standing notices

One-hop event checks from named stored sources.

Source: scholarly_work_events, retraction_status_cache, observed 2026-08-09T06:31:02.800959+00:00

measured 0 of 0 inbound itemization

Pith citing papers itemized under the disclosed page cap.

Source: paper_references, paper_reference_links

measured 0 of 1 external citation measurements

A source-named dated measurement, never combined with another source.

Source: cited_works

Reference resolution

73 of 73 outbound references displayed

  • verified exact5
  • verified fuzzy0
  • unresolved65
  • parse uncertain0
  • malformed identifier3
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External citation measurements

No source-named external measurement is stored.

Outbound references

Observation 7f481754-953a-4590-91b2-a75e761aad8a · outbound

This paper cites An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19

Reference 1

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Observation 92db2ae8-92ef-4947-a792-82e1da7b6ab3 · outbound

This paper cites CADD, AI and ML in drug discovery: A comprehensive review.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer CADD, AI and ML in drug discovery: A comprehensive review

Reference 2

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Observation 08f5dee8-28e1-4acc-826e-656e0cafec2f · outbound

This paper cites A Guide to In Silico Drug Design.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A Guide to In Silico Drug Design

Reference 3

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Observation 4c49eb83-5d70-4f8d-abb7-17e229082355 · outbound

This paper cites Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Shedding Light on Important Waters for Drug Design: Simulations versus Grid-Based Methods

Reference 4

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source=pdf_text observed=2026-08-03T17:46:59.119174Z digest=sha256:439cedd7df3a2a23e1a39d6d510cac6b3f764b47fe200feaf562b791f4ce8021

Observation f4e681ff-3c9f-4a33-a462-8cce837c2d2f · outbound

This paper cites From Water Networks to Binding Affinities:Resolving Solvation Dynamics for Accurate Protein-Ligand Predictions.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer From Water Networks to Binding Affinities:Resolving Solvation Dynamics for Accurate Protein-Ligand Predictions

Reference 5

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verified exact
doi, observed 2026-08-03T17:48:40.183213Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

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Observation 5ca4f168-1fa5-4116-8c0f-6ec472244d7f · outbound

This paper cites Rapid and accurate prediction and scoring of water molecules in protein binding sites.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Rapid and accurate prediction and scoring of water molecules in protein binding sites

Reference 6

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Observation 80a9c166-8bbc-4723-ac1d-29163b80c4c5 · outbound

This paper cites Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein−Ligand Complexes.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Analysis of Ligand-Bound Water Molecules in High-Resolution Crystal Structures of Protein−Ligand Complexes

Reference 7

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source=pdf_text observed=2026-08-03T17:46:59.530102Z digest=sha256:d78fc6a58e96b07fcb71ca9c13ff0f2601e47e80e83b15a115d10298a0ed610c

Observation de56f3e4-f01c-415b-a584-cd034e506c54 · outbound

This paper cites Prediction of the Water Content in Protein Binding Sites.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Prediction of the Water Content in Protein Binding Sites

Reference 8

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source=pdf_text observed=2026-08-03T17:46:59.623349Z digest=sha256:24876cd8e69f68ed21a8f486f66d2515459b197a58875506153aef8568147802

Observation 43ec8f14-5ef6-405e-b27d-ea765ff53894 · outbound

This paper cites Calculated hydration free energies become less accurate with increases in molecular weight.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Calculated hydration free energies become less accurate with increases in molecular weight

Reference 9

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source=pdf_text observed=2026-08-03T17:46:59.775327Z digest=sha256:1f7264069535d77fcaf6df15306048aac27cd76924b9f7f8a6b2b1dc7e423fec

Observation 24a3cbec-c16a-4933-9bd6-ec1d795c97a0 · outbound

This paper cites Water molecules at protein–drug interfaces: computational prediction and analysis methods.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Water molecules at protein–drug interfaces: computational prediction and analysis methods

Reference 10

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source=pdf_text observed=2026-08-03T17:46:59.933244Z digest=sha256:cf4a38bd1da726abc9ba74ffa0ad1620bbb91c10be3045e2d93c4eedec958a2d

Observation 1964c1d0-69e2-489c-93a9-5518d89f6bdb · outbound

This paper cites Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation

Reference 11

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Observation 1fa18ca1-a9f2-4b0c-81ac-edd8ba1b0a57 · outbound

This paper cites Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calcula- tions.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calcula- tions

Reference 12

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Observation 21a1a016-e7aa-4e0a-b64f-e623ce7bdb3c · outbound

This paper cites Efficient Drug Lead Discovery and Optimization.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Efficient Drug Lead Discovery and Optimization

Reference 13

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Observation 2deeab14-e52e-4685-a21e-193b94d02df8 · outbound

This paper cites Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins

Reference 14

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Observation 6d1036bd-4b8d-4bee-aa39-3a4c10b23176 · outbound

This paper cites Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0].

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]

Reference 15

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Observation 027b73c5-3089-4ae5-b81d-d1e41cd7db6a · outbound

This paper cites Strategies to calculate water binding free energies in protein–ligand complexes.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Strategies to calculate water binding free energies in protein–ligand complexes

Reference 16

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Observation 45b69b0d-387d-4893-bd93-8da289433e09 · outbound

This paper cites The role of water molecules in computational drug design.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer The role of water molecules in computational drug design

Reference 17

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Observation 5aabbe41-e51f-48cc-b0b4-a075baf99cbd · outbound

This paper cites On the Thermodynamics of Water Displacement from Binding Sites and its Contributions to Supramolecular and Biomolecular Affinity.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer On the Thermodynamics of Water Displacement from Binding Sites and its Contributions to Supramolecular and Biomolecular Affinity

Reference 18

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Observation 39cc880d-a2d6-42a6-9082-5202fa49bf7a · outbound

This paper cites Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Enhancing sampling of water rehydration upon ligand binding using variants of grand canonical Monte Carlo

Reference 19

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Observation d5b37c8a-0c1a-4abe-863e-6fa4b0d277a7 · outbound

This paper cites High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer- driven unsupervised adaptive sampling.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer- driven unsupervised adaptive sampling

Reference 20

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Observation 31c68188-bfa1-4e21-abc4-a85cb8c52037 · outbound

This paper cites Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface

Reference 21

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Observation 19ab98db-c055-4822-87c1-ad602015158b · outbound

This paper cites Histidine 73 methylation coordinates β-actin plasticity in response to key environmental factors.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Histidine 73 methylation coordinates β-actin plasticity in response to key environmental factors

Reference 22

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Observation b4386e56-199a-4460-9f23-d9666bf2cd64 · outbound

This paper cites Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation

Reference 23

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Observation f169ffcd-3f36-4a06-bda5-0c9455f2a1b1 · outbound

This paper cites Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors

Reference 24

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Observation a8b9decd-fe7b-44a5-8e15-e2acb6e70671 · outbound

This paper cites Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Tinker-HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields

Reference 25

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Observation 5264d0c8-76a5-4020-80e5-df6acd0a029f · outbound

This paper cites Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields Using GPUs and Multi-GPU Systems

Reference 26

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Observation 38b876f2-fc61-402e-b807-32e0b65bab9a · outbound

This paper cites A GPU-accelerated fast multipole method for GROMACS: performance and accuracy.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A GPU-accelerated fast multipole method for GROMACS: performance and accuracy

Reference 27

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Observation 85ef2915-7cb2-4f6c-961b-90769968c9f7 · outbound

This paper cites Scalable molecular dynamics on CPU and GPU architectures with NAMD.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Scalable molecular dynamics on CPU and GPU architectures with NAMD

Reference 28

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Observation ec56c17d-44ea-4c7b-b472-37ad29272551 · outbound

This paper cites Recent Developments in Amber Biomolecular Simulations.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Recent Developments in Amber Biomolecular Simulations

Reference 29

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Observation 7d506d6f-c0b1-4450-860e-561bca12a484 · outbound

This paper cites an unresolved cited work.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Unresolved cited work

Reference 30

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Observation bbf41b73-647f-40be-b2a1-be956835854f · outbound

This paper cites an unresolved cited work.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Unresolved cited work

Reference 31

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Observation 66f4392e-b95a-4b48-952d-36342f864c2c · outbound

This paper cites Machine Learning for Molecular Simulation.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Machine Learning for Molecular Simulation

Reference 32

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Observation 56a8d8b2-61cd-47c8-89b5-0e249d764523 · outbound

This paper cites Quantum Algorithm for Protein Side-Chain Optimisation: Comparing Quantum to Classical Methods.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Quantum Algorithm for Protein Side-Chain Optimisation: Comparing Quantum to Classical Methods

Reference 33

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Observation acd30233-90fe-4a1b-9c3a-fdce47f1a214 · outbound

This paper cites Quantum Speedup for Nonreversible Markov Chains.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Quantum Speedup for Nonreversible Markov Chains

Reference 34

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Observation 68566e6f-5b4d-41e6-b83f-b6781c9c8e71 · outbound

This paper cites Quantum Circuits for the Metropolis-Hastings Algorithm.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Quantum Circuits for the Metropolis-Hastings Algorithm

Reference 35

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Observation 48e761c1-e7fd-4af5-8108-954a9a4264bf · outbound

This paper cites Resource-efficient quantum algorithm for protein folding.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Resource-efficient quantum algorithm for protein folding

Reference 36

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source=pdf_text observed=2026-08-03T17:47:02.811484Z digest=sha256:a3bd9eb2826b23ab47d49bd3eb67034c1441ab02d4c2503ec5073eafbf207f55

Observation a2704346-d6fe-48aa-be50-dfc29e36e5d7 · outbound

This paper cites Quantum algorithm for protein-ligand docking sites identification in the interaction space.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Quantum algorithm for protein-ligand docking sites identification in the interaction space

Reference 37

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doi_truncated, observed 2026-08-03T17:48:39.013491Z

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No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

source=pdf_text observed=2026-08-03T17:47:02.898589Z digest=sha256:3f180fa9f235cd74b0424f7f14d09fe8e7fa82b44907ac54ef27ad98090d224f

Observation 120267bd-cc79-4b60-bbfa-b0ff81927d2a · outbound

This paper cites Molecular docking via quantum approximate optimization algorithm.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Molecular docking via quantum approximate optimization algorithm

Reference 38

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doi, observed 2026-08-03T17:48:38.794179Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

source=pdf_text observed=2026-08-03T17:47:02.992996Z digest=sha256:a757c486ceac1066fa0fc7280762b447b3952c1ac694cebe875bbb45032614db

Observation d2ce1a03-865e-41f9-ad72-2e0f577e6268 · outbound

This paper cites A hybrid quantum computing pipeline for real world drug discovery.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A hybrid quantum computing pipeline for real world drug discovery

Reference 39

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no resolver link, observed 2026-08-03T17:47:03.085693Z

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source=pdf_text observed=2026-08-03T17:47:03.085693Z digest=sha256:c0447de9ad28ed6f6b9e3bee68cdbd22f73909a9c5cfcffb0c23267d4088fb85

Observation 508cc822-f684-45f4-a4a7-b1837e9c3e30 · outbound

This paper cites A brief review on quantum computing based drug design.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A brief review on quantum computing based drug design

Reference 40

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source=pdf_text observed=2026-08-03T17:47:03.176475Z digest=sha256:18c10b4b5ff8dc477e403c6ccb78f65a1d7d683350bb7bf4a4538e1f5240eb76

Observation f4050a45-bb62-445a-aa29-41cb4fcd9d8f · outbound

This paper cites Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Leveraging analog quantum computing with neutral atoms for solvent configuration prediction in drug discovery

Reference 41

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source=pdf_text observed=2026-08-03T17:47:03.265893Z digest=sha256:f8c04c5d2db3ec5803ab486a4c260da7e58e5fe43a42cf13a40608314841addc

Observation 55bd5da9-8a1d-41ce-a6e9-462308d05aca · outbound

This paper cites Experimental Benchmarking of an Automated Deterministic Error-Suppression Workflow for Quantum Algorithms.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Experimental Benchmarking of an Automated Deterministic Error-Suppression Workflow for Quantum Algorithms

Reference 42

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source=pdf_text observed=2026-08-03T17:47:03.340365Z digest=sha256:1eb443e56eb5b37fb2dd0cc5529abb623a9c92c19ae2bf528319dda3eba7df7c

Observation cafc2dcf-8a59-45e8-9230-4aa0d144815b · outbound

This paper cites Integrated error-suppressed pipeline for quantum optimization of nontrivial binary combinatorial optimization problems on gate-model hardware at the 156-qubit scale.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Integrated error-suppressed pipeline for quantum optimization of nontrivial binary combinatorial optimization problems on gate-model hardware at the 156-qubit scale

Reference 43

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source=pdf_text observed=2026-08-03T17:47:03.514961Z digest=sha256:cabe492e011167e55bb832f21356d15220ad33f4625c034b55229a15e52626cd

Observation a986d78f-ba04-4128-9beb-3149aad5c2a8 · outbound

This paper cites Water Networks in Complexes between Proteins and FDA-Approved Drugs.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Water Networks in Complexes between Proteins and FDA-Approved Drugs

Reference 44

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no resolver link, observed 2026-08-03T17:47:03.604488Z

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source=pdf_text observed=2026-08-03T17:47:03.604488Z digest=sha256:3d4a33562ed6fca62897769624e1c22c9f7f8118791395d9218689e0e9c801db

Observation 9a435d60-011f-49b4-9cb3-1ac6a9925dea · outbound

This paper cites Integrated error-suppressed pipeline for quantum optimization of nontrivial binary combinatorial optimization problems on gate-model hardware at the 156-qubit scale.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Integrated error-suppressed pipeline for quantum optimization of nontrivial binary combinatorial optimization problems on gate-model hardware at the 156-qubit scale

Reference 45

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no resolver link, observed 2026-08-03T17:47:03.683690Z

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source=pdf_text observed=2026-08-03T17:47:03.683690Z digest=sha256:d1a21e09cbd8c1da378dd4f98d7bfd55644bd160b0f3b3448629755b1a48c6bd

Observation d1a89967-d871-49e6-b06e-113f53589890 · outbound

This paper cites en.URL:https://www.ibm.com/quantum/technology (visited on 11/12/2025).

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer en.URL:https://www.ibm.com/quantum/technology (visited on 11/12/2025)

Reference 46

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no resolver link, observed 2026-08-03T17:47:03.781716Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:03.781716Z digest=sha256:52eb3ad9df3b3313a53a58a07394fe5bb815f0badeca2faf967c310791beb77f

Observation b724adaf-5f86-44d5-b7bf-14c1bdc13d16 · outbound

This paper cites Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Placement of Water Molecules in Protein Structures: From Large-Scale Evaluations to Single-Case Examples

Reference 47

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no resolver link, observed 2026-08-03T17:47:03.937887Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:03.937887Z digest=sha256:f90728cebdf144c7b35ed2c1940121217fa3b119b1e0eebe019e69afa101b1a4

Observation c7e647d3-3092-4c86-84d4-6b327c305b0d · outbound

This paper cites Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters

Reference 48

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no resolver link, observed 2026-08-03T17:47:04.067477Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:04.067477Z digest=sha256:07bdcdca54076d8de16595fd34a60cbcd9c1d4773f41a93e2c03953a8b960e22

Observation 72cde336-b3e9-42b7-9ad5-ec8cf269365c · outbound

This paper cites HydraProt: A New Deep Learning Tool for Fast and Accurate Prediction of Water Molecule Positions for Protein Structures.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer HydraProt: A New Deep Learning Tool for Fast and Accurate Prediction of Water Molecule Positions for Protein Structures

Reference 49

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no resolver link, observed 2026-08-03T17:47:04.233384Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:04.233384Z digest=sha256:de4bee0dee73da29bf5805a02c1f14a9a81eb1300b68953aa800122a24f46cef

Observation 51c6be82-7b8f-4085-a5a2-c2ca9db9c0c2 · outbound

This paper cites Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase

Reference 50

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no resolver link, observed 2026-08-03T17:47:04.329533Z

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source=pdf_text observed=2026-08-03T17:47:04.329533Z digest=sha256:b27feae34c0c874dd0914d28976ec0a49ede6651bb3fba81cf30e15763f3cbc2

Observation de184e00-47a6-4c90-97d0-e85a0399ad18 · outbound

This paper cites W ATGEN: An algorithm for modeling water networks at protein–protein interfaces.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer W ATGEN: An algorithm for modeling water networks at protein–protein interfaces

Reference 51

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no resolver link, observed 2026-08-03T17:47:04.433655Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:04.433655Z digest=sha256:4cfe4f71989dcadb12a59a133cea1319096cacb0269bbbb1452610d20f3f3b38

Observation f45239d1-e375-42a9-8e4f-9fd48bc11402 · outbound

This paper cites Dowser++, a new method of hydrating protein structures.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Dowser++, a new method of hydrating protein structures

Reference 52

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unresolved
no resolver link, observed 2026-08-03T17:47:04.543061Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:04.543061Z digest=sha256:531e3026a2bae1e2cc766a79d08dc2caf0983912eb5fc0e1894a625e587fd4bb

Observation f09d06cb-4fbf-4610-83c6-954ae023eda3 · outbound

This paper cites Optimization by Simulated Annealing: An Experimental Evaluation; Part I, Graph Partitioning.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Optimization by Simulated Annealing: An Experimental Evaluation; Part I, Graph Partitioning

Reference 53

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verified exact
doi, observed 2026-08-03T17:48:38.577822Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

source=pdf_text observed=2026-08-03T17:47:04.656545Z digest=sha256:b10660a584988357d13c5cf6c52fcaf7a667a8311339062e16d68812f3500b02

Observation 08369ddd-8cbd-4c27-b7ad-189db07bf926 · outbound

This paper cites Optimization by Simulated Annealing: An Experimental Evaluation; Part II, Graph Coloring and Number Partitioning.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Optimization by Simulated Annealing: An Experimental Evaluation; Part II, Graph Coloring and Number Partitioning

Reference 54

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verified exact
doi, observed 2026-08-03T17:48:38.271609Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

source=pdf_text observed=2026-08-03T17:47:04.742073Z digest=sha256:d9e265edcfa760bfc7207fc681dee9342eafe1bf6ddf4a76600ec185e33994dd

Observation 6a9c328d-14f6-4110-b352-28937abde433 · outbound

This paper cites The Theory and Practice of Simulated Annealing.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer The Theory and Practice of Simulated Annealing

Reference 55

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verified exact
doi, observed 2026-08-03T17:48:37.976327Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-09T06:31:02.800959+00:00.

source=pdf_text observed=2026-08-03T17:47:04.815928Z digest=sha256:a79bf938c3e0c215a628e62ff6617bdfbd4d2986c182f217a18088c0e87f1657

Observation 1d3116db-af9a-4972-956a-cc807326162c · outbound

This paper cites Comparison of QAOA with Quantum and Simulated Annealing.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Comparison of QAOA with Quantum and Simulated Annealing

Reference 56

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unresolved
no resolver link, observed 2026-08-03T17:47:04.985761Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:04.985761Z digest=sha256:05ea22aa77664245e5fd4cd70e85a64f18bef6295708249770a4db445ad16d42

Observation 24c0b224-f016-4eb2-9f25-0d6b56fd4e38 · outbound

This paper cites Quantum Approximate Optimization Algorithm: Performance, Mechanism, and Implementation on Near-Term Devices.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Quantum Approximate Optimization Algorithm: Performance, Mechanism, and Implementation on Near-Term Devices

Reference 57

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unresolved
no resolver link, observed 2026-08-03T17:47:05.067649Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:05.067649Z digest=sha256:0e433f702c3986e87a1343ab1dc80c4875ab6a80648ea392715a69ad9364bc49

Observation f16981d9-0610-4e95-96f3-23a25a49b04b · outbound

This paper cites Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Three-Dimensional Molecular Theory of Solvation Coupled with Molecular Dynamics in Amber

Reference 58

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no resolver link, observed 2026-08-03T17:47:05.176895Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:05.176895Z digest=sha256:a8ba8b37403f7d1a3f7594d654cf702685e9548f7df5d2423fc9e4dfe571f4ee

Observation 7cf0ea13-f8ee-4d4c-8586-045d9e660bdd · outbound

This paper cites AmberTools.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer AmberTools

Reference 59

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no resolver link, observed 2026-08-03T17:47:05.287310Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:05.287310Z digest=sha256:3f1d9ff907e6fd0822c43461175fc1b2f4c006c1a0d7fbbec6a78b3c86f3b5e0

Observation 2bbbdabf-0b34-453c-8d8f-54371531b06d · outbound

This paper cites ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

Reference 60

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no resolver link, observed 2026-08-03T17:47:05.380718Z

Source-reported events for the cited work

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source=pdf_text observed=2026-08-03T17:47:05.380718Z digest=sha256:c2dcd78305b4b923a9a30a8433dd8b38bda56b8f98a4fd213fdcd78b1f7aef85

Observation a6bda330-62f7-4e4c-b1ab-72dcb2f2d6c7 · outbound

This paper cites The missing term in effective pair potentials.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer The missing term in effective pair potentials

Reference 61

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no resolver link, observed 2026-08-03T17:47:05.451865Z

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source=pdf_text observed=2026-08-03T17:47:05.451865Z digest=sha256:b50f0c4536808c9826fea16854d0c17659306c3c26a714aab76e4cb731fee2d4

Observation 605d850b-9cc4-4803-8150-0e58f9e773a4 · outbound

This paper cites 3D-RISM-AI: A Machine Learning Approach to Predict Protein–Ligand Binding Affinity Using 3D-RISM.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer 3D-RISM-AI: A Machine Learning Approach to Predict Protein–Ligand Binding Affinity Using 3D-RISM

Reference 62

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no resolver link, observed 2026-08-03T17:47:05.564813Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.564813Z digest=sha256:6ef097b867c11a1ad1bd916b448a69b322f86af7d0726c800a1acc77e6fb3c88

Observation a120284a-eb12-402f-93e6-508883cb98b6 · outbound

This paper cites Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Solvation entropy, enthalpy and free energy prediction using a multi-task deep learning functional in 1D-RISM

Reference 63

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no resolver link, observed 2026-08-03T17:47:05.639150Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.639150Z digest=sha256:667876e58ce1b5d0bd5e060616e31cb7c5594e8bd726c7ee8a9d389e628cd837

Observation fa2fee4f-4b74-447a-8610-abf240e0336a · outbound

This paper cites Optimal water networks in protein cavities with GAsol and 3D-RISM.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Optimal water networks in protein cavities with GAsol and 3D-RISM

Reference 64

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no resolver link, observed 2026-08-03T17:47:05.697440Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.697440Z digest=sha256:2a4837fa8ba35c20b4237d2db4a5ce66ab189770a01768f47c7071888c12f68d

Observation 71ba076e-26d0-4c86-b9bb-2ff10a9f8ea8 · outbound

This paper cites A Quantum Approximate Optimization Algorithm.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A Quantum Approximate Optimization Algorithm

Reference 65

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no resolver link, observed 2026-08-03T17:47:05.763244Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.763244Z digest=sha256:6f6df0332e51662503a6399960544147cd0e0c89b5e5df1c0064771157085583

Observation 1d567b63-a0bb-4fd6-bea3-c67acd3d9dbf · outbound

This paper cites en.DOI: 10.1126/sciadv.adm6761 .URL: https://www.science.org/doi/10.1126/sciadv.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer en.DOI: 10.1126/sciadv.adm6761 .URL: https://www.science.org/doi/10.1126/sciadv

Reference 66

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no resolver link, observed 2026-08-03T17:47:05.839047Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.839047Z digest=sha256:011cce0a90a37a741ba06a42373ca654b8fb0cb579f2c3a344eb8a3561a7bf77

Observation 03fad4ef-96d3-49af-8db7-2d760607ceee · outbound

This paper cites Solving boolean satisfiability problems with the quantum approximate optimization algorithm.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Solving boolean satisfiability problems with the quantum approximate optimization algorithm

Reference 67

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no resolver link, observed 2026-08-03T17:47:05.863380Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.863380Z digest=sha256:1513e20f834cbcdc8f66d566cda51b70129ea833abcbe775ef9d88b357b5d03e

Observation f028e053-9c04-42d8-95e8-60076868454e · outbound

This paper cites Threshold for Fault-tolerant Quantum Advantage with the Quantum Approximate Optimization Algorithm.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Threshold for Fault-tolerant Quantum Advantage with the Quantum Approximate Optimization Algorithm

Reference 68

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unresolved
no resolver link, observed 2026-08-03T17:47:05.938641Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:05.938641Z digest=sha256:aed3feb1d0dd5293bd4ea9a7f2399857b22d3575020892c86f1849b51c9682ac

Observation f1d65fab-a8a7-4c14-b8f3-8b525dfdbc47 · outbound

This paper cites Noise-induced barren plateaus in variational quantum algorithms.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Noise-induced barren plateaus in variational quantum algorithms

Reference 69

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malformed identifier
no resolver link, observed 2026-08-03T17:47:06.050575Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:06.050575Z digest=sha256:a66ae470e1831f594d8868907ff0544b5d2108ced4e47c253f8e8f4280ad62a9

Observation 7bfbf699-df95-4b26-8867-d7c7fec2b4e9 · outbound

This paper cites Scaling of the quantum approximate optimization algorithm on superconducting qubit based hardware.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Scaling of the quantum approximate optimization algorithm on superconducting qubit based hardware

Reference 70

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no resolver link, observed 2026-08-03T17:47:06.143275Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:06.143275Z digest=sha256:74dd1c156fda69bdb133545bec9cbba0bcff08b8858d0efe274018322c544cbd

Observation 824ae19e-34c2-4657-b089-62dd41a0a078 · outbound

This paper cites Short-depth QAOA circuits and quantum annealing on higher-order ising models.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Short-depth QAOA circuits and quantum annealing on higher-order ising models

Reference 71

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no resolver link, observed 2026-08-03T17:47:06.270101Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:06.270101Z digest=sha256:12043a16122e17d55aa9e67e440ac51b70156ceaf3bf4bc0b98169684ec480e4

Observation 14ec2ed0-c0fe-441c-8979-729e0d019c83 · outbound

This paper cites an unresolved cited work.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Unresolved cited work

Reference 72

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no resolver link, observed 2026-08-03T17:47:06.388436Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:06.388436Z digest=sha256:205e1a46b62c4c66e0cb9381491891812590396c1427ba8d6091708521a65d32

Observation 81093460-957f-4b9d-9598-4dc380e329a7 · outbound

This paper cites an unresolved cited work.

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer Unresolved cited work

Reference 2025

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no resolver link, observed 2026-08-03T17:47:02.266957Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

source=pdf_text observed=2026-08-03T17:47:02.266957Z digest=sha256:0ada4fcf4c8e32d4b3270636a1c954c939cab13e56a14e3d71bd953bb9df83f8

Pith citing papers

No inbound Pith citation observations are available.