Paper Citation Record · LEDGER

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials

As of 16 August 2026, this Paper Citation Record lists 44 of 44 outbound references and 0 inbound Pith citation observations for arXiv:2501.01811.

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

pith.paper-citation-record.v1
2501.01811 v2

Coverage vector

measured 44 of 44 reference resolution

Typed states for the displayed outbound observations.

Source: paper_references, paper_reference_links, observed 2026-08-10T22:25:05.837951Z

measured 44 of 44 standing notices

One-hop event checks from named stored sources.

Source: scholarly_work_events, retraction_status_cache, observed 2026-08-16T06:30:59.297886+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

44 of 44 outbound references displayed

verified exact4
verified fuzzy30
unresolved10
parse uncertain0
malformed identifier0
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External citation measurements

No source-named external measurement is stored.

Outbound references

Observation c3a80084-2234-4f0f-85fd-2aa8dc7069e1 · outbound

This paper cites an unresolved cited work.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Unresolved cited work

Reference 1

Resolution: unresolved; raw_fallback, observed 2026-08-10T22:25:06.653439Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation a25298d1-ab4d-4d11-90c9-b332cefcca37 · outbound

This paper cites D.; Berne, B.; Friesner, R.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials D.; Berne, B.; Friesner, R

Reference 2

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.638372Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation f05dd02f-0d91-44d1-8026-71d22cbca6b1 · outbound

This paper cites A.; Riniker, S.; Cournia, Z.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A.; Riniker, S.; Cournia, Z

Reference 3

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.623207Z

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Observation 4b51a805-daac-44d4-a054-3225b99a3203 · outbound

This paper cites an unresolved cited work.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Unresolved cited work

Reference 4

Resolution: unresolved; raw_fallback, observed 2026-08-10T22:25:06.607099Z

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Observation 764455ba-28ce-400f-9f23-95017bec404a · outbound

This paper cites Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery

Reference 5

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.589948Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation c93c47f1-8878-47b1-ae19-2420ccb9e595 · outbound

This paper cites M.; Caldwell, J.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials M.; Caldwell, J

Reference 6

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.573555Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 783c6973-7f77-4405-9fbd-af5ff16946bd · outbound

This paper cites A.; Case, D.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A.; Case, D

Reference 7

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.558204Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 6f6be260-34dd-4a30-9a02-9d7886816a49 · outbound

This paper cites Journal of computational chemistry 2010, 31, 671--690.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Journal of computational chemistry 2010, 31, 671--690

Reference 8

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.542746Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 760f34e2-0566-4428-b7c7-67938f8a0992 · outbound

This paper cites P.; MacKerell Jr, A.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials P.; MacKerell Jr, A

Reference 9

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.526824Z

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Observation f31cb034-6ed8-4890-9100-6f2c6bc155b8 · outbound

This paper cites G.; Boothroyd, S.; Jang, H.; Hahn, D.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials G.; Boothroyd, S.; Jang, H.; Hahn, D

Reference 10

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.677135Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 38a7bc8d-2b20-480d-b108-4919c44920cb · outbound

This paper cites K.; Madin, O.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials K.; Madin, O

Reference 11

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.681997Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 4dffb042-30a7-43bb-8632-bfe718a39b88 · outbound

This paper cites A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

Reference 12

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.687044Z

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Unavailable: canonical work link unavailable.

Observation ded06040-1216-46bb-90eb-5ae592a3bcca · outbound

This paper cites MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials MACE-OFF: Transferable Short Range Machine Learning Force Fields for Organic Molecules

Reference 13

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.691985Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation de720a8d-e572-4a90-b80a-d40047c10f40 · outbound

This paper cites S.; Huddleston, K.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials S.; Huddleston, K

Reference 14

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.489241Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation a07677e8-fb06-4319-9210-86eca4dc2910 · outbound

This paper cites AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs

Reference 15

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.474517Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 75cd6e93-313a-433a-8786-18febef9f0c4 · outbound

This paper cites TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials TorchMD-NET: Equivariant Transformers for Neural Network based Molecular Potentials

Reference 16

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.706512Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 855952ea-269c-46fa-aa05-627adbb96ddb · outbound

This paper cites TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials

Reference 17

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.459023Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation dce8613f-f150-4a5b-8162-ed377765bcfa · outbound

This paper cites TorchMD: A deep learning framework for molecular simulations.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials TorchMD: A deep learning framework for molecular simulations

Reference 18

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.443426Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 9a3f9033-d1e7-4506-9900-f0bd69ab6998 · outbound

This paper cites P.; Simeon, G.; Galvelis, R.; Mirarchi, A.; Eastman, P.; Doerr, S.; Th \"o lke, P.; Markland, T.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials P.; Simeon, G.; Galvelis, R.; Mirarchi, A.; Eastman, P.; Doerr, S.; Th \"o lke, P.; Markland, T

Reference 19

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.428408Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 5aee50a4-c487-4129-a0b1-c3cce7da259b · outbound

This paper cites https://huggingface.co/Acellera/AceForce-1.0, 2024; Accessed: 2024-12-30.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials https://huggingface.co/Acellera/AceForce-1.0, 2024; Accessed: 2024-12-30

Reference 20

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.412904Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation dd76646c-70b3-413c-9ae7-8ba62d92f10b · outbound

This paper cites Machine Learning Potentials: A Roadmap Toward Next-Generation Biomolecular Simulations.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Machine Learning Potentials: A Roadmap Toward Next-Generation Biomolecular Simulations

Reference 21

Resolution: verified exact; local_arxiv, observed 2026-08-10T22:25:06.041921Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation d3bbdf71-cd1a-498d-b6b9-42c303aa3d1b · outbound

This paper cites D.; Markland, T.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials D.; Markland, T

Reference 22

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.397005Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 44d4ca53-c2a2-4b0a-92d6-f73992cf5115 · outbound

This paper cites E.; Chodera, J.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials E.; Chodera, J

Reference 23

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.380104Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 8cb10aa4-07f4-4a6c-808d-9efeedfe8a91 · outbound

This paper cites Z.; Pal, R.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Z.; Pal, R

Reference 24

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.365058Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 5b7a22c7-a38b-4553-b4b0-2c61c39c50d9 · outbound

This paper cites Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Validation of the Alchemical Transfer Method for the Estimation of Relative Binding Affinities of Molecular Series

Reference 25

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.350096Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 06f69dbf-f15d-4ef6-b895-3e6b012f8ed9 · outbound

This paper cites Performance and Analysis of the Alchemical Transfer Method for Binding Free Energy Predictions of Diverse Ligands.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Performance and Analysis of the Alchemical Transfer Method for Binding Free Energy Predictions of Diverse Ligands

Reference 26

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.335008Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 8c538bb7-bea2-4556-86bf-1ac9ee52f724 · outbound

This paper cites K.; Greenwood, J.; Romero, D.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials K.; Greenwood, J.; Romero, D

Reference 27

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.320196Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation fd770371-2005-408f-83c9-1127f78711d4 · outbound

This paper cites A.; Dahlgren, M.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A.; Dahlgren, M

Reference 28

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.763335Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation d3032ffe-492f-4e28-98e6-fed4cf895b54 · outbound

This paper cites https://www.acellera.com/, 2024; Accessed: 2024-12-30.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials https://www.acellera.com/, 2024; Accessed: 2024-12-30

Reference 29

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.294309Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation eebe7879-2dfd-48a6-9113-7d93ddd052b5 · outbound

This paper cites D.; James, N.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials D.; James, N

Reference 30

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.278738Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 2779272e-1251-4821-a480-8254d7746819 · outbound

This paper cites S.; Roitberg, A.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials S.; Roitberg, A

Reference 31

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.262928Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 34973dd2-522b-4e97-b510-3660794176e1 · outbound

This paper cites GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions

Reference 32

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.247004Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 58de3bb1-e3d1-490c-9b7b-bf9428410775 · outbound

This paper cites Geometry optimization made simple with translation and rotation coordinates.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Geometry optimization made simple with translation and rotation coordinates

Reference 33

Resolution: unresolved; no resolver link, observed 2026-08-10T22:25:05.786371Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation cca91463-da90-4d88-8e2f-5b95ec4aef08 · outbound

This paper cites A.; Wang, L.; Wagner, J.; trevorgokey openforcefield/openff-recharge: 0.5.0.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A.; Wang, L.; Wagner, J.; trevorgokey openforcefield/openff-recharge: 0.5.0

Reference 34

Resolution: verified exact; doi, observed 2026-08-10T22:25:05.897152Z

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No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 256494e0-4ccc-4d58-a33b-b12514bd5c1a · outbound

This paper cites M.; Harvey, M.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials M.; Harvey, M

Reference 35

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.219547Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation f7b57675-fd56-48cf-afe1-ab82a103e2c7 · outbound

This paper cites HTMD: high-throughput molecular dynamics for molecular discovery.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials HTMD: high-throughput molecular dynamics for molecular discovery

Reference 36

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.204440Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 123d3c1b-59e5-4189-b1ea-7d5dc677383c · outbound

This paper cites F.; Gapsys, V.; de Groot, B.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials F.; Gapsys, V.; de Groot, B

Reference 37

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.187139Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 4a3dbc3d-40e0-4946-9933-2de20a7c46bb · outbound

This paper cites Blinded prediction of protein--ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Blinded prediction of protein--ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4

Reference 38

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.170305Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 61d1e4da-b133-452d-9216-e740a75c4d9e · outbound

This paper cites A.; Martinez, C.; Kasavajhala, K.; Wickstrom, L.; Hauser, K.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials A.; Martinez, C.; Kasavajhala, K.; Wickstrom, L.; Hauser, K

Reference 39

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.153017Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation c38895e3-0c96-450c-bcdc-1208fed921b6 · outbound

This paper cites https://www.gpugrid.net/, Accessed: 2024-12-10.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials https://www.gpugrid.net/, Accessed: 2024-12-10

Reference 40

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.137000Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation dd360849-e1a2-41bd-a123-ec055ffc6d0f · outbound

This paper cites P.; Abreu, C.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials P.; Abreu, C

Reference 41

Resolution: verified fuzzy; raw_fallback, observed 2026-08-10T22:25:06.121479Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 74669b52-c683-48e1-bac2-9088406418f3 · outbound

This paper cites an unresolved cited work.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials Unresolved cited work

Reference 42

Resolution: unresolved; raw_fallback, observed 2026-08-10T22:25:06.105568Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 2b431837-27f6-48fa-9f02-fed679e39037 · outbound

This paper cites B.; dfhahn; Henry, M.; Chodera, J.; Dotson, D.; Glass, W.; Pulido, I.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials B.; dfhahn; Henry, M.; Chodera, J.; Dotson, D.; Glass, W.; Pulido, I

Reference 43

Resolution: verified exact; doi, observed 2026-08-10T22:25:05.880461Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Observation 6d206646-c337-4007-96a9-984b32c77917 · outbound

This paper cites JACS dataset.

QuantumBind-RBFE: Accurate Relative Binding Free Energy Calculations Using Neural Network Potentials JACS dataset

Reference 44

Resolution: verified exact; raw_fallback, observed 2026-08-10T22:25:06.017719Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-16T06:30:59.297886+00:00.

Pith citing papers

No inbound Pith citation observations are available.