Open Access Helper

OpenAlex Citation Counts

OpenAlex Citations Logo

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:

Free Energy Methods in Drug Design: Prospects of “Alchemical Perturbation” in Medicinal Chemistry
Billy J. Williams‐Noonan, Elizabeth Yuriev, David K. Chalmers
Journal of Medicinal Chemistry (2017) Vol. 61, Iss. 3, pp. 638-649
Closed Access | Times Cited: 153

Showing 1-25 of 153 citing articles:

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design
Ercheng Wang, Huiyong Sun, Junmei Wang, et al.
Chemical Reviews (2019) Vol. 119, Iss. 16, pp. 9478-9508
Closed Access | Times Cited: 1542
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: 676
The Variational Quantum Eigensolver: A review of methods and best practices
Jules Tilly, Hongxiang Chen, Shuxiang Cao, et al.
Physics Reports (2022) Vol. 986, pp. 1-128
Open Access | Times Cited: 590
Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development
Outi M. H. Salo‐Ahen, Ida Alanko, Rajendra Bhadane, et al.
Processes (2020) Vol. 9, Iss. 1, pp. 71-71
Open Access | Times Cited: 369
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: 209
Merging Ligand-Based and Structure-Based Methods in Drug Discovery: An Overview of Combined Virtual Screening Approaches
Javier Vázquez, Manel López, Enric Gibert, et al.
Molecules (2020) Vol. 25, Iss. 20, pp. 4723-4723
Open Access | Times Cited: 165
An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications
Maral Aminpour, Carlo Montemagno, Jack A. Tuszyński
Molecules (2019) Vol. 24, Iss. 9, pp. 1693-1693
Open Access | Times Cited: 151
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: 138
Application of Computational Biology and Artificial Intelligence in Drug Design
Yue Zhang, Mengqi Luo, Peng Wu, et al.
International Journal of Molecular Sciences (2022) Vol. 23, Iss. 21, pp. 13568-13568
Open Access | Times Cited: 70
Binding affinity in drug design: experimental and computational techniques
Visvaldas Kairys, Lina Baranauskienė, Migle Kazlauskiene, et al.
Expert Opinion on Drug Discovery (2019) Vol. 14, Iss. 8, pp. 755-768
Closed Access | Times Cited: 127
Atomistic Simulations of Membrane Ion Channel Conduction, Gating, and Modulation
E. A. Flood, Céline Boiteux, Bogdan Lev, et al.
Chemical Reviews (2019) Vol. 119, Iss. 13, pp. 7737-7832
Closed Access | Times Cited: 121
Identifying the natural polyphenol catechin as a multi-targeted agent against SARS-CoV-2 for the plausible therapy of COVID-19: an integrated computational approach
Chandra Bhushan Mishra, Preeti Pandey, Ravi Datta Sharma, et al.
Briefings in Bioinformatics (2020) Vol. 22, Iss. 2, pp. 1346-1360
Open Access | Times Cited: 91
Computational Modeling of Supramolecular Metallo-organic Cages–Challenges and Opportunities
Tomasz K. Piskorz, Vicente Martí‐Centelles, Tom A. Young, et al.
ACS Catalysis (2022) Vol. 12, Iss. 10, pp. 5806-5826
Open Access | Times Cited: 54
Interpretable and tractable models of transcriptional noise for the rational design of single-molecule quantification experiments
Gennady Gorin, John J. Vastola, Meichen Fang, et al.
Nature Communications (2022) Vol. 13, Iss. 1
Open Access | Times Cited: 39
Learning characteristics of graph neural networks predicting protein–ligand affinities
Andrea Mastropietro, Giuseppe Pasculli, Jürgen Bajorath
Nature Machine Intelligence (2023) Vol. 5, Iss. 12, pp. 1427-1436
Closed Access | Times Cited: 28
Evaluation of Machine Learning/Molecular Mechanics End-State Corrections with Mechanical Embedding to Calculate Relative Protein–Ligand Binding Free Energies
Johannes Karwounopoulos, M. Bieniek, Zhiyi Wu, et al.
Journal of Chemical Theory and Computation (2025)
Open Access | Times Cited: 1
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization
Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, et al.
Journal of Chemical Information and Modeling (2019) Vol. 59, Iss. 6, pp. 3018-3035
Open Access | Times Cited: 65
Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation
Laura Pérez‐Benito, Henrik Keränen, Herman van Vlijmen, et al.
Scientific Reports (2018) Vol. 8, Iss. 1
Open Access | Times Cited: 64
Targeting Myeloid Differentiation Using Potent 2-Hydroxypyrazolo[1,5-a]pyridine Scaffold-Based Human Dihydroorotate Dehydrogenase Inhibitors
Stefano Sainas, Agnese Chiara Pippione, Elisa Lupino, et al.
Journal of Medicinal Chemistry (2018) Vol. 61, Iss. 14, pp. 6034-6055
Open Access | Times Cited: 61
Challenges Encountered Applying Equilibrium and Nonequilibrium Binding Free Energy Calculations
Hannah M. Baumann, Vytautas Gapsys, Bert L. de Groot, et al.
The Journal of Physical Chemistry B (2021) Vol. 125, Iss. 17, pp. 4241-4261
Open Access | Times Cited: 49
Rapid and accurate estimation of protein–ligand relative binding affinities using site-identification by ligand competitive saturation
Himanshu Goel, Anthony Hazel, Vincent D. Ustach, et al.
Chemical Science (2021) Vol. 12, Iss. 25, pp. 8844-8858
Open Access | Times Cited: 41
Self-assembling peptide biomaterials: Insights from spontaneous and enhanced sampling molecular dynamics simulations
Billy J. Williams‐Noonan, Alexa Kamboukos, Nevena Todorova, et al.
Chemical Physics Reviews (2023) Vol. 4, Iss. 2
Open Access | Times Cited: 20
Alchemical Transformations and Beyond: Recent Advances and Real-World Applications of Free Energy Calculations in Drug Discovery
Runtong Qian, Jing Xue, You Xu, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 19, pp. 7214-7237
Closed Access | Times Cited: 7
Accuracy and Precision of Alchemical Relative Free Energy Predictions with and without Replica‐Exchange
Shunzhou Wan, Gary Tresadern, Laura Pérez‐Benito, et al.
Advanced Theory and Simulations (2019) Vol. 3, Iss. 1
Open Access | Times Cited: 50
Predicting Activity Cliffs with Free-Energy Perturbation
Laura Pérez‐Benito, Nil Casajuana‐Martin, Mireia Jiménez‐Rosés, et al.
Journal of Chemical Theory and Computation (2019) Vol. 15, Iss. 3, pp. 1884-1895
Closed Access | Times Cited: 49
Page 1 - Next Page

Scroll to top