Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-03T17:47:06.388436Z
Paper Citation Record · LEDGER
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.
Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-03T17:47:06.388436Z
One-hop event checks from named stored sources.
Source: scholarly_work_events, retraction_status_cache, observed 2026-08-09T06:31:02.800959+00:00
Pith citing papers itemized under the disclosed page cap.
Source: paper_references, paper_reference_links
A source-named dated measurement, never combined with another source.
Source: cited_works
73 of 73 outbound references displayed
External citation measurements
No source-named external measurement is stored.
Observation 7f481754-953a-4590-91b2-a75e761aad8a · outbound
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
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
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
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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Observation f4e681ff-3c9f-4a33-a462-8cce837c2d2f · outbound
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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Observation 5ca4f168-1fa5-4116-8c0f-6ec472244d7f · outbound
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
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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Observation de56f3e4-f01c-415b-a584-cd034e506c54 · outbound
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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Observation 43ec8f14-5ef6-405e-b27d-ea765ff53894 · outbound
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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Observation 24a3cbec-c16a-4933-9bd6-ec1d795c97a0 · outbound
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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Observation 1964c1d0-69e2-489c-93a9-5518d89f6bdb · outbound
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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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Observation a2704346-d6fe-48aa-be50-dfc29e36e5d7 · outbound
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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Observation 120267bd-cc79-4b60-bbfa-b0ff81927d2a · outbound
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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Observation d2ce1a03-865e-41f9-ad72-2e0f577e6268 · outbound
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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Observation 508cc822-f684-45f4-a4a7-b1837e9c3e30 · outbound
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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Observation f4050a45-bb62-445a-aa29-41cb4fcd9d8f · outbound
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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Observation 55bd5da9-8a1d-41ce-a6e9-462308d05aca · outbound
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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Observation cafc2dcf-8a59-45e8-9230-4aa0d144815b · outbound
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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Observation a986d78f-ba04-4128-9beb-3149aad5c2a8 · outbound
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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Observation 9a435d60-011f-49b4-9cb3-1ac6a9925dea · outbound
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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Observation d1a89967-d871-49e6-b06e-113f53589890 · outbound
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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Observation b724adaf-5f86-44d5-b7bf-14c1bdc13d16 · outbound
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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Observation c7e647d3-3092-4c86-84d4-6b327c305b0d · outbound
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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Observation 72cde336-b3e9-42b7-9ad5-ec8cf269365c · outbound
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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Observation 51c6be82-7b8f-4085-a5a2-c2ca9db9c0c2 · outbound
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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Observation de184e00-47a6-4c90-97d0-e85a0399ad18 · outbound
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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Observation f45239d1-e375-42a9-8e4f-9fd48bc11402 · outbound
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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Observation f09d06cb-4fbf-4610-83c6-954ae023eda3 · outbound
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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Observation 08369ddd-8cbd-4c27-b7ad-189db07bf926 · outbound
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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Observation 6a9c328d-14f6-4110-b352-28937abde433 · outbound
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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Observation 1d3116db-af9a-4972-956a-cc807326162c · outbound
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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Observation 24c0b224-f016-4eb2-9f25-0d6b56fd4e38 · outbound
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Reference 57
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Observation f16981d9-0610-4e95-96f3-23a25a49b04b · outbound
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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Observation 7cf0ea13-f8ee-4d4c-8586-045d9e660bdd · outbound
Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer AmberTools
Reference 59
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Observation 2bbbdabf-0b34-453c-8d8f-54371531b06d · outbound
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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Observation a6bda330-62f7-4e4c-b1ab-72dcb2f2d6c7 · outbound
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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Observation 605d850b-9cc4-4803-8150-0e58f9e773a4 · outbound
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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Observation a120284a-eb12-402f-93e6-508883cb98b6 · outbound
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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Observation fa2fee4f-4b74-447a-8610-abf240e0336a · outbound
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Reference 64
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Observation 71ba076e-26d0-4c86-b9bb-2ff10a9f8ea8 · outbound
Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer A Quantum Approximate Optimization Algorithm
Reference 65
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Observation 1d567b63-a0bb-4fd6-bea3-c67acd3d9dbf · outbound
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Reference 66
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Observation 03fad4ef-96d3-49af-8db7-2d760607ceee · outbound
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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Observation f028e053-9c04-42d8-95e8-60076868454e · outbound
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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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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Observation 7bfbf699-df95-4b26-8867-d7c7fec2b4e9 · outbound
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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Observation 824ae19e-34c2-4657-b089-62dd41a0a078 · outbound
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Reference 71
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Observation 14ec2ed0-c0fe-441c-8979-729e0d019c83 · outbound
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Reference 72
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Reference 2025
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