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:

Modern Alchemical Free Energy Methods for Drug Discovery Explained
Darrin M. York
ACS Physical Chemistry Au (2023) Vol. 3, Iss. 6, pp. 478-491
Open Access | Times Cited: 29

Showing 1-25 of 29 citing articles:

End-Point Affinity Estimation of Galectin Ligands by Classical and Semiempirical Quantum Mechanical Potentials
Jan Choutka, Jakub Kaminský, Ercheng Wang, et al.
Journal of Chemical Information and Modeling (2025)
Open Access | Times Cited: 2
Understanding the impact of binding free energy and kinetics calculations in modern drug discovery
Victor A. Adediwura, Kushal Koirala, N. Hung, et al.
Expert Opinion on Drug Discovery (2024) Vol. 19, Iss. 6, pp. 671-682
Closed Access | Times Cited: 9
Ligand Reorganization for End-Point Binding Free Energy Calculations: Identifying Preferred Poses of Fentanyls in the μ Opioid Receptor
David D. L. Minh, David A. Cooper, Bing Xie, et al.
Journal of Chemical Theory and Computation (2025)
Closed Access
Alchemical Enhanced Sampling with Optimized Phase Space Overlap
Shi Zhang, Timothy J. Giese, Tai‐Sung Lee, et al.
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 9, pp. 3935-3953
Closed Access | Times Cited: 5
Software Infrastructure for Next-Generation QM/MM−ΔMLP Force Fields
Timothy J. Giese, Jinzhe Zeng, Lauren Lerew, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 26, pp. 6257-6271
Closed Access | Times Cited: 5
Multiple Topology Replica Exchange of Expanded Ensembles for Multidimensional Alchemical Calculations
Anika J. Friedman, Wei-Tse Hsu, Michael R. Shirts
Journal of Chemical Theory and Computation (2025) Vol. 21, Iss. 1, pp. 230-240
Closed Access
A partition function estimator
Ying‐Chih Chiang, Frank Otto, Jonathan W. Essex
The Journal of Chemical Physics (2025) Vol. 162, Iss. 2
Open Access
Ligand and Residue Free Energy Perturbations Solve the Dual Binding Mode Proposal for an A2BAR Partial Agonist
Tana Tandarić, Hugo Gutiérrez‐de‐Terán
The Journal of Physical Chemistry B (2025)
Open Access
FEP-SPell-ABFE: An Open-Source Automated Alchemical Absolute Binding Free-Energy Calculation Workflow for Drug Discovery
Pengfei Li, Tianlei Pu, Ye Mei
Journal of Chemical Information and Modeling (2025)
Closed Access
Identification of Novel Fourth-Generation Allosteric Inhibitors Targeting Inactive State of EGFR T790M/L858R/C797S and T790M/L858R Mutations: A Combined Machine Learning and Molecular Dynamics Approach
K. Bhanja, Niladri Patra
The Journal of Physical Chemistry B (2025)
Closed Access
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: 4
Automated Adaptive Absolute Binding Free Energy Calculations
Finlay Clark, Graeme R. Robb, D. J. A. Cole, et al.
Journal of Chemical Theory and Computation (2024)
Open Access | Times Cited: 3
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample variance
Meiting Wang, Ye Mei, Ulf Ryde
Chemical Science (2024) Vol. 15, Iss. 23, pp. 8786-8799
Open Access | Times Cited: 2
Automated Adaptive Absolute Binding Free Energy Calculations
Finlay Clark, Graeme R. Robb, D. J. A. Cole, et al.
(2024)
Open Access | Times Cited: 2
Convergence-Adaptive Roundtrip Method Enables Rapid and Accurate FEP Calculations
Yufen Yao, Runduo Liu, Wenchao Li, et al.
Journal of Chemical Theory and Computation (2024)
Closed Access | Times Cited: 1
Delving into Macrolide Binding Affinities and Associated Structural Modulations in Erythromycin Esterase C: Insights into the Venus Flytrap Mechanism
Abhishek Bera, P. C. Joshi, Niladri Patra
Journal of Chemical Information and Modeling (2024)
Closed Access | Times Cited: 1
Integrating path sampling with enhanced sampling for rare-event kinetics
Dhiman Ray
The Journal of Chemical Physics (2024) Vol. 161, Iss. 22
Closed Access | Times Cited: 1
Molecular Dynamics Simulations in Drug Discovery
Onur Serçinoğlu, Xavier Chee Wezen, Ayesha Fatima
Elsevier eBooks (2024)
Closed Access | Times Cited: 1
Studying the Collective Functional Response of a Receptor in Alchemical Ligand Binding Free Energy Simulations with Accelerated Solvation Layer Dynamics
Wei Jiang
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 8, pp. 3085-3095
Closed Access
Thermodynamics of the gas-phase dimerization of formic acid: Fully anharmonic finite temperature calculations at the CCSD(T) and many DFT levels
Dávid Vrška, Michal Pitoňák, Tomáš Bučko
The Journal of Chemical Physics (2024) Vol. 160, Iss. 17
Closed Access
Peptide Drug Design Using Alchemical Free Energy Calculation: An Application and Validation on Agonists of Ghrelin Receptor
Qin Zeng, Guangpeng Meng, Bingyu Zhao, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 12, pp. 4863-4876
Closed Access
Adsorption of Flavonoids in a Transcriptional Regulator TtgR: Relative Binding Free Energies and Intermolecular Interactions
Yuxuan Wu, Shi Zhang, Darrin M. York, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 27, pp. 6529-6541
Closed Access
Identification of novel LRRK2 inhibitors by structure-based virtual screening and alchemical free energy calculation
Shuoyan Tan, Xiaoqing Gong, Huanxiang Liu, et al.
Physical Chemistry Chemical Physics (2024) Vol. 26, Iss. 29, pp. 19775-19786
Closed Access
Caught between a ROCK and a hard place: current challenges in structure-based drug design
Daniele Pala, David E. Clark
Drug Discovery Today (2024) Vol. 29, Iss. 9, pp. 104106-104106
Closed Access
Variational time reversal for free-energy estimation in nonequilibrium steady states
Jorge L. Rosa-Raíces, David T. Limmer
Physical review. E (2024) Vol. 110, Iss. 2
Open Access
Page 1 - Next Page

Scroll to top