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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:

The maximal and current accuracy of rigorous protein-ligand binding free energy calculations
Gregory A. Ross, Chao Lü, Guido Scarabelli, et al.
Communications Chemistry (2023) Vol. 6, Iss. 1
Open Access | Times Cited: 60

Showing 1-25 of 60 citing articles:

Do All Paths Lead to Rome? How Reliable is Umbrella Sampling Along a Single Path?
Noora Aho, Gerrit Groenhof, Pavel Buslaev
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 15, pp. 6674-6686
Closed Access | Times Cited: 12
Current State of Open Source Force Fields in Protein–Ligand Binding Affinity Predictions
David F. Hahn, Vytautas Gapsys, Bert L. de Groot, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 13, pp. 5063-5076
Open Access | Times Cited: 11
Accurate prediction of DNA-Intercalator binding energies: Ensemble of short molecular dynamics simulations vs. long simulations
Anju Choorakottayil Pushkaran, Alya A. Arabi
International Journal of Biological Macromolecules (2025), pp. 141408-141408
Open Access | Times Cited: 1
Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex
Ivy Zhang, Dominic A. Rufa, Iván Pulido, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 15, pp. 4863-4882
Open Access | Times Cited: 13
Robust Prediction of Relative Binding Energies for Protein–Protein Complex Mutations Using Free Energy Perturbation Calculations
Jared M. Sampson, Daniel A. Cannon, Jian‐Xin Duan, et al.
Journal of Molecular Biology (2024) Vol. 436, Iss. 16, pp. 168640-168640
Open Access | Times Cited: 5
Adaptive Lambda Scheduling: A Method for Computational Efficiency in Free Energy Perturbation Simulations
Scott D. Midgley, Sofia Bariami, Matthew Habgood, et al.
Journal of Chemical Information and Modeling (2025)
Open Access
The Physics-AI Dialogue in Drug Design
Pablo Andrés Vargas-Rosales, Amedeo Caflisch
RSC Medicinal Chemistry (2025)
Open Access
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands
Ara M. Abramyan, Anna Bochicchio, Chuanjie Wu, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
How does machine learning augment alchemical binding free energy calculations?
Ingo Muegge, Ge Yunhui
Future Medicinal Chemistry (2025), pp. 1-3
Closed Access
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
ísak Valsson, Matthew T. Warren, Charlotte M. Deane, et al.
Communications Chemistry (2025) Vol. 8, Iss. 1
Open Access
The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks
Christian Krämer, John D. Chodera, Kelly L. Damm‐Ganamet, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Prospective Evaluation of Structure-Based Simulations Reveal Their Ability to Predict the Impact of Kinase Mutations on Inhibitor Binding
Sukrit Singh, Vytautas Gapsys, Matteo Aldeghi, et al.
The Journal of Physical Chemistry B (2025)
Open Access
A Workflow to Create a High-Quality Protein-Ligand Binding Dataset for Training, Validation, and Prediction Tasks
Yingze Wang, Kunyang Sun, Jie Li, et al.
Digital Discovery (2025)
Open Access
Digitization of molecular complexity with machine learning
Andrei S. Tyrin, Daniil A. Boiko, Nikita I. Kolomoets, et al.
Chemical Science (2025)
Open Access
PCANN Program for Structure‐Based Prediction of Protein–Protein Binding Affinity: Comparison With Other Neural‐Network Predictors
Olga O. Lebedenko, Mikhail S. Polovinkin, Anastasiia A. Kazovskaia, et al.
Proteins Structure Function and Bioinformatics (2025)
Open Access
Divide-and-Conquer ABFE: Improving Free Energy Calculations by Enhancing Water Sampling
Runduo Liu, Yufen Yao, Wanyi Huang, et al.
Journal of Chemical Theory and Computation (2025)
Closed Access
Relative Binding Free Energy Estimation of Congeneric Ligands and Macromolecular Mutants with the Alchemical Transfer Method with Coordinate Swapping
Emilio Gallicchio
Journal of Chemical Information and Modeling (2025)
Closed Access
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A Hemagglutinin
Ella Barkan, I. Siddiqui, Kevin J. Cheng, et al.
Computational and Structural Biotechnology Journal (2025)
Open Access
Selective Inhibitor Design against Thymidylate Synthase of Mycobacterium tuberculosis Using Alchemical Simulations
Pallav Sengupta, Priyadarshi Satpati
ACS Omega (2025)
Open Access
Dissecting the Molecular Mechanism Concerning Conformational Changes of SARS‐CoV‐2 Main Protease Mediated by Binding of Natural Phytochemicals via Molecular Dynamics Simulations
Chaoyue Jia, Yanqi Sun, Jianzhong Chen, et al.
ChemistrySelect (2025) Vol. 10, Iss. 13
Closed Access
Computation of Protein–Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
Journal of Chemical Theory and Computation (2025)
Open Access
In vitro larvicidal activity of selected azabenzimidazole and diarylquinoline derivatives against Anopheles gambiae and in silico mechanistic analysis
Kola A. Oluwafemi, Anthony F. Adeforiti, Oluwatoba Emmanuel Oyeneyin, et al.
Molecular Diversity (2025)
Closed Access
Predicting Resistance to Small Molecule Kinase Inhibitors
Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull, et al.
Journal of Chemical Information and Modeling (2025)
Closed Access
Computational approaches to aid PROTAC drug discovery
Sohini Chakraborti, Kirsten McAulay
Elsevier eBooks (2025)
Closed Access
Rapid, Accurate, Ranking of Protein–Ligand Binding Affinities with VM2, the Second-Generation Mining Minima Method
Michael K. Gilson, Lawrence E. Stewart, Michael J. Potter, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 14, pp. 6328-6340
Closed Access | Times Cited: 3
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