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OpenAlex Citation Counts

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OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!

If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.

Requested Article:

Predicting Binding Free Energies: Frontiers and Benchmarks
David L. Mobley, Michael K. Gilson
Annual Review of Biophysics (2017) Vol. 46, Iss. 1, pp. 531-558
Open Access | Times Cited: 354

Showing 1-25 of 354 citing articles:

Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations
Zoe Cournia, Bryce K. Allen, Woody Sherman
Journal of Chemical Information and Modeling (2017) Vol. 57, Iss. 12, pp. 2911-2937
Open Access | Times Cited: 670
New developments in force fields for biomolecular simulations
Paul S. Nerenberg, Teresa Head‐Gordon
Current Opinion in Structural Biology (2018) Vol. 49, pp. 129-138
Open Access | Times Cited: 236
Using AMBER18 for Relative Free Energy Calculations
Lin Frank Song, Tai‐Sung Lee, Chun Zhu, et al.
Journal of Chemical Information and Modeling (2019) Vol. 59, Iss. 7, pp. 3128-3135
Open Access | Times Cited: 215
Best Practices for Alchemical Free Energy Calculations [Article v1.0]
Antonia S. J. S. Mey, Bryce K. Allen, Hannah E. Bruce Macdonald, et al.
Living Journal of Computational Molecular Science (2020) Vol. 2, Iss. 1
Open Access | Times Cited: 206
Protein–ligand binding with the coarse-grained Martini model
Paulo C. T. Souza, Sebastian Thallmair, Paolo Conflitti, et al.
Nature Communications (2020) Vol. 11, Iss. 1
Open Access | Times Cited: 195
Rigorous Free Energy Simulations in Virtual Screening
Zoe Cournia, Bryce K. Allen, Thijs Beuming, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 9, pp. 4153-4169
Open Access | Times Cited: 194
Assessment of Binding Affinity via Alchemical Free-Energy Calculations
Maximilian Kühn, Stuart Firth‐Clark, Paolo Tosco, et al.
Journal of Chemical Information and Modeling (2020) Vol. 60, Iss. 6, pp. 3120-3130
Open Access | Times Cited: 178
Collaborative routes to clarifying the murky waters of aqueous supramolecular chemistry
Paul S. Cremer, Amar H. Flood, Bruce C. Gibb, et al.
Nature Chemistry (2017) Vol. 10, Iss. 1, pp. 8-16
Closed Access | Times Cited: 173
Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models
Arkajyoti Sengupta, Zhen Li, Lin Frank Song, et al.
Journal of Chemical Information and Modeling (2021) Vol. 61, Iss. 2, pp. 869-880
Open Access | Times Cited: 164
Recognition in the Domain of Molecular Chirality: From Noncovalent Interactions to Separation of Enantiomers
Paola Peluso, Bezhan Chankvetadze
Chemical Reviews (2022) Vol. 122, Iss. 16, pp. 13235-13400
Closed Access | Times Cited: 160
Ligand binding free energy and kinetics calculation in 2020
Vittorio Limongelli
Wiley Interdisciplinary Reviews Computational Molecular Science (2020) Vol. 10, Iss. 4
Closed Access | Times Cited: 141
Rapid, accurate, precise and reproducible ligand–protein binding free energy prediction
Shunzhou Wan, Agastya P. Bhati, Stefan J. Zasada, et al.
Interface Focus (2020) Vol. 10, Iss. 6, pp. 20200007-20200007
Open Access | Times Cited: 137
On the Frustration to Predict Binding Affinities from Protein–Ligand Structures with Deep Neural Networks
Mikhail Volkov, Joseph-André Turk, Nicolas Drizard, et al.
Journal of Medicinal Chemistry (2022) Vol. 65, Iss. 11, pp. 7946-7958
Open Access | Times Cited: 127
Enhancing Hit Discovery in Virtual Screening through Absolute Protein–Ligand Binding Free-Energy Calculations
Wei Chen, Di Cui, Steven V. Jerome, et al.
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 10, pp. 3171-3185
Closed Access | Times Cited: 75
GōMartini 3: From large conformational changes in proteins to environmental bias corrections
Paulo C. T. Souza, Luís Borges-Araújo, Chris Brasnett, et al.
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 20
Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry
Paige E. Bowling, Dustin R. Broderick, John M. Herbert
Journal of Chemical Theory and Computation (2025)
Closed Access | Times Cited: 4
Quick-and-Easy Validation of Protein–Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry
Paige E. Bowling, Dustin R. Broderick, John M. Herbert
Journal of Chemical Information and Modeling (2025)
Closed Access | Times Cited: 2
Overview of the SAMPL6 host–guest binding affinity prediction challenge
Andrea Rizzi, Steven Murkli, J. Nolan McNeill, et al.
Journal of Computer-Aided Molecular Design (2018) Vol. 32, Iss. 10, pp. 937-963
Open Access | Times Cited: 154
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Andrea Rizzi, Travis Jensen, David R. Slochower, et al.
Journal of Computer-Aided Molecular Design (2020) Vol. 34, Iss. 5, pp. 601-633
Open Access | Times Cited: 128
Water Networks Can Determine the Affinity of Ligand Binding to Proteins
John F. Darby, Adam P. Hopkins, Seishi Shimizu, et al.
Journal of the American Chemical Society (2019) Vol. 141, Iss. 40, pp. 15818-15826
Open Access | Times Cited: 123
Tinker‐OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs
Matthew Harger, Daniel Li, Zhi Wang, et al.
Journal of Computational Chemistry (2017) Vol. 38, Iss. 23, pp. 2047-2055
Open Access | Times Cited: 112
D3R grand challenge 4: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
conor parks, Zied Gaieb, Michael Chiu, et al.
Journal of Computer-Aided Molecular Design (2020) Vol. 34, Iss. 2, pp. 99-119
Open Access | Times Cited: 112
Accurate Calculation of Relative Binding Free Energies between Ligands with Different Net Charges
Wei Chen, Yuqing Deng, Ellery Russell, et al.
Journal of Chemical Theory and Computation (2018) Vol. 14, Iss. 12, pp. 6346-6358
Closed Access | Times Cited: 111
Finding the ΔΔG spot: Are predictors of binding affinity changes upon mutations in protein–protein interactions ready for it?
Cunliang Geng, Li C. Xue, Jorge Roel‐Touris, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2019) Vol. 9, Iss. 5
Open Access | Times Cited: 93
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo
Samuel C. Gill, Nathan M. Lim, Patrick Grinaway, et al.
The Journal of Physical Chemistry B (2018) Vol. 122, Iss. 21, pp. 5579-5598
Open Access | Times Cited: 83
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