From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators | Paper Citation Record

Observation 29cb51e4-da16-4d3a-a98f-c35b52fcb7d9 · outbound

This paper cites Gilson and Huan-Xiang Zhou.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Gilson and Huan-Xiang Zhou

Reference 1

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This paper cites Mobley and Michael K.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Mobley and Michael K

Reference 2

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From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 3

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Observation dbbe2b58-b23e-4392-92cc-ebc13dfeea56 · outbound

This paper cites Drug–target residence time and its implications for lead optimization.Nature Reviews Drug Discovery, 5(9):730–739, 2006.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Drug–target residence time and its implications for lead optimization.Nature Reviews Drug Discovery, 5(9):730–739, 2006

Reference 4

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Observation 593fbed1-55cd-4623-8398-19ed309f98a8 · outbound

This paper cites Copeland.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Copeland

Reference 5

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From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 6

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Observation f8dbdfdc-7a85-451b-aaf5-3fb7342e40d5 · outbound

This paper cites Kinetics of Drug Binding and Residence Time.Annual Review of Physical Chemistry, 70(1):143–171, 2019.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Kinetics of Drug Binding and Residence Time.Annual Review of Physical Chemistry, 70(1):143–171, 2019

Reference 7

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Observation 99f3d247-559b-4d90-84cf-a023e51093e8 · outbound

This paper cites Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation.Chemical Reviews, 120(23):12788–12833, 2020.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Thermodynamics and Kinetics of Drug-Target Binding by Molecular Simulation.Chemical Reviews, 120(23):12788–12833, 2020

Reference 8

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Observation c4a6b592-e39a-423d-957b-d7b263bce654 · outbound

This paper cites Statistical mechanics of chemical equilibria and intramolec- ular structures of nonrigid molecules in condensed phases.The Journal of Chemical Physics, 65 (8):2925–2940, 1976.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Statistical mechanics of chemical equilibria and intramolec- ular structures of nonrigid molecules in condensed phases.The Journal of Chemical Physics, 65 (8):2925–2940, 1976

Reference 9

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Observation 3ac0f4d2-1b44-428d-8bd5-304422dfcd76 · outbound

This paper cites Interactions between amides in solution and the thermodynamics of weak binding.Journal of the American Chemical Society, 111(10):3770–3771, 1989.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Interactions between amides in solution and the thermodynamics of weak binding.Journal of the American Chemical Society, 111(10):3770–3771, 1989

Reference 10

Resolution: malformed identifier; no resolver link, observed 2026-08-06T15:34:40.720909Z

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Observation 385a1d07-3d20-4cec-b70c-51aea7107002 · outbound

This paper cites The Statistical- Thermodynamic Basis for Computation of Binding Affinities : A Critical Review.Biophysical Journal, 72(3):1047–1069, 1997.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators The Statistical- Thermodynamic Basis for Computation of Binding Affinities : A Critical Review.Biophysical Journal, 72(3):1047–1069, 1997

Reference 11

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Observation 21041643-719d-43c8-b588-836c68d53703 · outbound

This paper cites High performance-oriented computer aided drug design ap- proaches in the exascale era.Expert Opinion on Drug Discovery, 20(3):391–400, 2025.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators High performance-oriented computer aided drug design ap- proaches in the exascale era.Expert Opinion on Drug Discovery, 20(3):391–400, 2025

Reference 12

Resolution: verified exact; raw_fallback, observed 2026-08-06T15:34:41.549428Z

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Observation d6083374-7fea-4129-896d-88abfe7b91e4 · outbound

This paper cites Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations.Journal of Chemical Information and Modeling, 57(12):2911–2937, 2017.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations.Journal of Chemical Information and Modeling, 57(12):2911–2937, 2017

Reference 13

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Observation 910b11b0-fa1d-4974-8703-2e4d4a942195 · outbound

This paper cites Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?Journal of Chemical Theory and Computation, 9(1):794–802, 2013.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?Journal of Chemical Theory and Computation, 9(1):794–802, 2013

Reference 14

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.300407Z

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Observation 5e59a904-2fc3-4521-9d0c-8eca96ad69cf · outbound

This paper cites Gumbart, François Dehez, Benoît Roux, Wensheng Cai, and Christophe Chipot.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Gumbart, François Dehez, Benoît Roux, Wensheng Cai, and Christophe Chipot

Reference 15

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Observation 29fa1e79-27ee-4d5d-ad0c-274b45f31f30 · outbound

This paper cites Kirkwood.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Kirkwood

Reference 16

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Observation 5137207c-46e9-4d00-8ad1-66ff1fbf41c1 · outbound

This paper cites Statistical Mechanical Equilibrium Theory of Selective Ion Channels.Biophysical Journal, 77(1):139–153, 1999.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Statistical Mechanical Equilibrium Theory of Selective Ion Channels.Biophysical Journal, 77(1):139–153, 1999

Reference 17

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.286405Z

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Observation 0539ded2-56c3-4bc1-ad1f-89cecbe84251 · outbound

This paper cites Allen, Olaf S.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Allen, Olaf S

Reference 18

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Observation b518349d-2548-4f87-8c4e-b2a7b4973ac0 · outbound

This paper cites SI: Calculation of absolute protein–ligand binding free energy from computer simulations.Proceedings of the National Academy of Sciences, 102(19):6825–6830,.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators SI: Calculation of absolute protein–ligand binding free energy from computer simulations.Proceedings of the National Academy of Sciences, 102(19):6825–6830,

Reference 19

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Observation a21338cb-08be-44e7-bc77-8fe18cd5b963 · outbound

This paper cites Kunz, and Wilfred F.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Kunz, and Wilfred F

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Observation 02f72b4c-e016-4ed3-85bf-27872edcafce · outbound

This paper cites Computations of Standard Binding Free Energies with Molecular Dynamics Simulations.The Journal of Physical Chemistry B, 113(8):2234–2246, 2009.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Computations of Standard Binding Free Energies with Molecular Dynamics Simulations.The Journal of Physical Chemistry B, 113(8):2234–2246, 2009

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Observation 9a190f25-c2a3-4aad-a6d7-f95b76e91a9d · outbound

This paper cites Funnel metadynamics as ac- curate binding free-energy method.Proceedings of the National Academy of Sciences, 110(16): 6358–6363, 2013.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Funnel metadynamics as ac- curate binding free-energy method.Proceedings of the National Academy of Sciences, 110(16): 6358–6363, 2013

Reference 22

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Observation bf51d9b5-e999-49e2-82fe-c50539c361c8 · outbound

This paper cites Exhaustive search of ligand binding pathways via volume-based metadynamics.The Journal of Physical Chemistry Letters, 10(12): 3495–3499, 2019.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Exhaustive search of ligand binding pathways via volume-based metadynamics.The Journal of Physical Chemistry Letters, 10(12): 3495–3499, 2019

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Observation 663cf602-4edd-4fb2-a57e-0802bf5c6a7d · outbound

This paper cites Souza, Sebastian Thallmair, Paolo Conflitti, Carlos Ramírez-Palacios, Riccardo Alessandri, Stefano Raniolo, Vittorio Limongelli, and Siewert J.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Souza, Sebastian Thallmair, Paolo Conflitti, Carlos Ramírez-Palacios, Riccardo Alessandri, Stefano Raniolo, Vittorio Limongelli, and Siewert J

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Observation 9f34e92f-2e9f-4eab-ba2b-a711f5be7b7c · outbound

This paper cites Structural basis of dimerization of chemokine receptors CCR5 and CXCR4.Nature Communications, 14(1):6439,.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Structural basis of dimerization of chemokine receptors CCR5 and CXCR4.Nature Communications, 14(1):6439,

Reference 25

Resolution: verified fuzzy; raw_fallback, observed 2026-08-06T15:34:41.693222Z

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Observation e71ca88c-9d7c-40f4-927d-7cef82fee6b1 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

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Observation c0c42e20-8a30-4ba5-ae62-643dc8b3e83d · outbound

This paper cites Hudson, Kyungreem Han, H.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Hudson, Kyungreem Han, H

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Observation 47842071-6426-4e19-98b7-a701b777f697 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 28

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Observation 22c1b068-abfb-4487-897b-539df37fc661 · outbound

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From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 29

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.225550Z

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Observation 04f55a76-978a-4d1f-9d83-ee601f0398a1 · outbound

This paper cites Stroud, and Gregory A.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Stroud, and Gregory A

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Resolution: verified fuzzy; raw_fallback, observed 2026-08-06T15:34:41.680552Z

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Observation 7ea41961-2192-4ab6-9388-e19e785b81b6 · outbound

This paper cites Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters.The EMBO Journal, 43(24):6740–6765, 2024.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Transport mechanism of DgoT, a bacterial homolog of SLC17 organic anion transporters.The EMBO Journal, 43(24):6740–6765, 2024

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Observation 01f208fd-5b8e-432e-86f0-3eed9becb718 · outbound

This paper cites Protonation-dependent substrate release in a bacterial homolog of vesicular glutamate.Biophysical Journal, 125(7):1565–1569, apr 2026.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Protonation-dependent substrate release in a bacterial homolog of vesicular glutamate.Biophysical Journal, 125(7):1565–1569, apr 2026

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Observation d6006866-6100-40a3-baa1-3f4def75258d · outbound

This paper cites Gregory, Stephen J.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Gregory, Stephen J

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Observation 0fdae1f6-5987-4a39-bd2e-86d17642fc77 · outbound

This paper cites Academic Press, San Diego, 3 edition, 2023.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Academic Press, San Diego, 3 edition, 2023

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Observation c1dea726-43bd-4a65-9695-7e3661bbfb5b · outbound

This paper cites Rosenberg, Djamal Bouzida, Robert H.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Rosenberg, Djamal Bouzida, Robert H

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Observation e91a02c5-3004-41a5-a945-15155cac2149 · outbound

This paper cites Torrie and J.P.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Torrie and J.P

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Observation cbb519f6-444e-4e98-932d-e9f1eb99b2e7 · outbound

This paper cites Replica-exchange molecular dynamics method for protein folding.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Replica-exchange molecular dynamics method for protein folding

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Observation d1a0fb86-7760-46a8-a757-a9115cdf06e6 · outbound

This paper cites Adaptive biasing force method for scalar and vector free energy calculations.The Journal of Chemical Physics, 128(14), 2008.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Adaptive biasing force method for scalar and vector free energy calculations.The Journal of Chemical Physics, 128(14), 2008

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Observation b78b75ad-8e0a-4a19-828a-32bbfae64500 · outbound

This paper cites Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint.Annual Review of Physical Chemistry, 67(1):159–184, 2016.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint.Annual Review of Physical Chemistry, 67(1):159–184, 2016

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Observation 3da4caca-2507-4fdb-aa86-b1fdb05b737b · outbound

This paper cites Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.The Journal of Physical Chemistry B, 121(15):3676–3685, 2017.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Smoothed Biasing Forces Yield Unbiased Free Energies with the Extended-System Adaptive Biasing Force Method.The Journal of Physical Chemistry B, 121(15):3676–3685, 2017

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Resolution: verified exact; doi, observed 2026-08-06T15:34:41.177782Z

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Observation 3876f6c9-9191-4fe8-a8ce-ae0bf55c6c80 · outbound

This paper cites Unified Approach to Enhanced Sampling.Physical Review X, 10(4):041034, 2020.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unified Approach to Enhanced Sampling.Physical Review X, 10(4):041034, 2020

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Resolution: verified exact; doi, observed 2026-08-06T15:34:41.171184Z

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Observation 2af1dcb8-9b21-45a6-becf-a7e5af0350fa · outbound

This paper cites OneOPES, a Com- bined Enhanced Sampling Method to Rule Them All.Journal of Chemical Theory and Computa- tion, 19(17):5731–5742, 2023.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators OneOPES, a Com- bined Enhanced Sampling Method to Rule Them All.Journal of Chemical Theory and Computa- tion, 19(17):5731–5742, 2023

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Resolution: verified exact; doi, observed 2026-08-06T15:34:41.164577Z

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Observation ac7f5008-cc84-4c30-9c14-3258db02ff7e · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

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Resolution: unresolved; raw_fallback, observed 2026-08-06T15:34:41.661947Z

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Observation eb3178b2-2aab-4340-8d87-1e60a4ddf417 · outbound

This paper cites A Time-Independent Free Energy Estimator for Metady- namics.The Journal of Physical Chemistry B, 119(3):736–742, 2015.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators A Time-Independent Free Energy Estimator for Metady- namics.The Journal of Physical Chemistry B, 119(3):736–742, 2015

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Observation 3e184531-fc41-4e0e-be9f-db31e54e057c · outbound

This paper cites Rethinking Metadynamics: From Bias Potentials to Probability Distributions.The Journal of Physical Chemistry Letters, 11(7):2731–2736, 2020.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Rethinking Metadynamics: From Bias Potentials to Probability Distributions.The Journal of Physical Chemistry Letters, 11(7):2731–2736, 2020

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Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.860653Z

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Observation e1729b1e-e0a1-452f-9754-86d7ecf8afcc · outbound

This paper cites Giberti, B.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Giberti, B

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Observation 44134e9c-e205-4b1f-a312-f4cfe442e9bf · outbound

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From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

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Observation 146406da-3c33-4de0-abdc-58b2e1224e93 · outbound

This paper cites Grimm, Sebastian Spicher, Boryslav Tkachenko, Peter R.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Grimm, Sebastian Spicher, Boryslav Tkachenko, Peter R

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Resolution: verified exact; doi, observed 2026-08-06T15:34:41.139801Z

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Observation 436b63aa-ab35-468a-9432-4b3aa837d931 · outbound

This paper cites Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method.Physical Review Letters, 100(2):020603,.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method.Physical Review Letters, 100(2):020603,

Reference 49

Resolution: verified fuzzy; raw_fallback, observed 2026-08-06T15:34:41.655484Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ffdfc912-7191-4622-9004-637319063f42 · outbound

This paper cites Leano, Samir Batarni, Jacob Eriksen, Narinobu Juge, John E.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Leano, Samir Batarni, Jacob Eriksen, Narinobu Juge, John E

Reference 50

Resolution: malformed identifier; no resolver link, observed 2026-08-06T15:34:40.920816Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 724f3276-d0a1-4db1-bf98-004e7e7950dd · outbound

This paper cites Helena Danielson, Ursula Egner, Michael Hennig, Roder- ick E.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Helena Danielson, Ursula Egner, Michael Hennig, Roder- ick E

Reference 51

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.125155Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 615fe88e-f058-42ed-b3e8-1117eb3e7d9d · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 52

Resolution: unresolved; raw_fallback, observed 2026-08-06T15:34:41.648620Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation f333edd2-1be5-4b26-98e5-a8741ec3242c · outbound

This paper cites Velázquez-Campoy, H.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Velázquez-Campoy, H

Reference 53

Resolution: malformed identifier; raw_fallback, observed 2026-08-06T15:34:41.642447Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 87bef1b3-4353-4d1a-b533-74e37d4fab14 · outbound

This paper cites Huber and F.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Huber and F

Reference 54

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.112730Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation ffbeeefb-0617-44d3-a5e6-ab7fe9af3a9d · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 55

Resolution: unresolved; raw_fallback, observed 2026-08-06T15:34:41.635074Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation e32a0337-24d5-4ee6-8364-4a8a99c3fc69 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 56

Resolution: metadata mismatch; raw_fallback, observed 2026-08-06T15:34:41.470692Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 69f642b6-92b5-4fd0-8cad-2d5ac661a5a3 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 57

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.107020Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 71bd7246-5a5b-4148-80cd-106b1ce308ef · outbound

This paper cites Seidel, Patricia M.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Seidel, Patricia M

Reference 58

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.100736Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation d35622a1-035f-49d1-8d17-e6d78fc00c8a · outbound

This paper cites Wong and T.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Wong and T

Reference 59

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.094576Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 2024bd24-9aa0-405e-9c76-c4f54b4568a0 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 60

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.088427Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 230531c3-242f-4537-815a-ad2d43235133 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 61

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.082407Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation e03da1ae-f523-4547-8c36-dee186aca7dd · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 62

Resolution: malformed identifier; raw_fallback, observed 2026-08-06T15:34:41.628318Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 0b886003-9171-4f68-96b0-b948ffe4a36e · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 63

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.076053Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 7e7b8a44-e414-4145-ab1b-c9f45334ca46 · outbound

This paper cites Vaidyanathan, and Daniel Herschlag.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Vaidyanathan, and Daniel Herschlag

Reference 64

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.068794Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 41155cd0-4b86-4b07-9f82-11ea6a1fcf7c · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 65

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.062101Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 1ffc945c-d600-438a-acfb-21d07aa1d96c · outbound

This paper cites Pellecchia et al.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Pellecchia et al

Reference 66

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.055502Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 4e98a896-4851-460f-9875-5986a37a5bc6 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 67

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.049048Z

Source-reported events for the cited work

correction dated 2014-06-02. Source: crossref record 10.1016/j.pnmrs.2014.05.001->10.1016/j.pnmrs.2013.02.001:correction, observed 2026-07-11T03:13:08.225218+00:00. This notice travels one citation hop only.

Observation 9106b50e-bb08-4cab-877b-cc7e8cf7ff69 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 68

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.042399Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 6ec26cd7-5ca0-4855-a617-f82a82f9aa49 · outbound

This paper cites Ross, Chao Lu, Guido Scarabelli, Steven K.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Ross, Chao Lu, Guido Scarabelli, Steven K

Reference 69

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.960814Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 03d0f8df-a1c6-4356-8f2e-042ff3d51b32 · outbound

This paper cites Thompson, H.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Thompson, H

Reference 70

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.962908Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 6e8542a0-c3e7-4d8e-bfe5-07b7b0a2de71 · outbound

This paper cites Canonical sampling through velocity rescaling.The Journal of Chemical Physics, 126(1):014101, 2007.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Canonical sampling through velocity rescaling.The Journal of Chemical Physics, 126(1):014101, 2007

Reference 71

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.965237Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation b3cd1095-5cc8-4017-b06e-ad0b178b182d · outbound

This paper cites Smith, Berk Hess, and Erik Lindahl.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Smith, Berk Hess, and Erik Lindahl

Reference 72

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.027727Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 0c489802-8c1f-48f5-b4a8-aac739e417f1 · outbound

This paper cites Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni, and Giovanni Bussi.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Tribello, Massimiliano Bonomi, Davide Branduardi, Carlo Camilloni, and Giovanni Bussi

Reference 73

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.969539Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 001c9c6e-67fb-4347-9988-26e408563579 · outbound

This paper cites Parrinello and A.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Parrinello and A

Reference 74

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.971665Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation df2123d0-ad3a-41e0-afe6-9d7487e5c3f4 · outbound

This paper cites Parrinello and A.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Parrinello and A

Reference 75

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.973635Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 182cde77-2efe-45c8-b42c-4322cc47c0e4 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 76

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.975772Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 305ca13a-0ef7-4ea3-86e8-0d22e4fb0d02 · outbound

This paper cites Particle mesh Ewald: AnN·log(N)method for Ewald sums in large systems.The Journal of Chemical Physics, 98(12):10089–10092, 1993.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Particle mesh Ewald: AnN·log(N)method for Ewald sums in large systems.The Journal of Chemical Physics, 98(12):10089–10092, 1993

Reference 77

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.977849Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 2e85d6c2-4d1e-4966-8c7c-4954665c5651 · outbound

This paper cites Berkowitz, Tom Darden, Hsing Lee, and Lee G.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Berkowitz, Tom Darden, Hsing Lee, and Lee G

Reference 78

Resolution: verified fuzzy; raw_fallback, observed 2026-08-06T15:34:41.620775Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation adcd4270-c9c3-4860-8e9c-eea41491655e · outbound

This paper cites 22 Supporting Information Contents S1 Theory 23 S1.1 Statistical mechanics of chemical equilibrium.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators 22 Supporting Information Contents S1 Theory 23 S1.1 Statistical mechanics of chemical equilibrium

Reference 1995

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.982036Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation e249775e-b2c5-4e5d-aeef-ce6e03f9d88f · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 1999

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.119058Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 57a11ea8-9fb3-455f-ac9a-7b2d45396a5d · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 2005

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.273790Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation d092ba14-839f-4108-a667-0902fec47c98 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 2008

Resolution: unresolved; no resolver link, observed 2026-08-06T15:34:40.918868Z

Source-reported events for the cited work

Unavailable: canonical work link unavailable.

Observation 759743c7-5f55-4983-a1a0-e139c839efb3 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 2018

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.327551Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation cc348c2b-3dbd-4ce8-9224-5c28b69c962c · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 2021

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.219363Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

Observation 6a49a8e4-b793-4c8a-9f90-8670beb13440 · outbound

This paper cites an unresolved cited work.

From populations to absolute binding affinities in molecular simulations: exact volumetric terms and practical estimators Unresolved cited work

Reference 2023

Resolution: verified exact; doi, observed 2026-08-06T15:34:41.244817Z

Source-reported events for the cited work

No event found in the named queried sources as of 2026-08-14T06:32:32.682623+00:00.

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