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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:

CHARMM-GUI Free Energy Calculator for Absolute and Relative Ligand Solvation and Binding Free Energy Simulations
Seonghoon Kim, Hiraku Oshima, Han Zhang, et al.
Journal of Chemical Theory and Computation (2020) Vol. 16, Iss. 11, pp. 7207-7218
Open Access | Times Cited: 93

Showing 1-25 of 93 citing articles:

A Guide to In Silico Drug Design
Yiqun Chang, Bryson A. Hawkins, Jonathan J. Du, et al.
Pharmaceutics (2022) Vol. 15, Iss. 1, pp. 49-49
Open Access | Times Cited: 121
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 41, pp. 9976-10042
Open Access | Times Cited: 22
Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation
Germano Heinzelmann, Michael K. Gilson
Scientific Reports (2021) Vol. 11, Iss. 1
Open Access | Times Cited: 98
Recent Developments in Free Energy Calculations for Drug Discovery
Edward J. King, Erick Aitchison, Han Li, et al.
Frontiers in Molecular Biosciences (2021) Vol. 8
Open Access | Times Cited: 96
BFEE2: Automated, Streamlined, and Accurate Absolute Binding Free-Energy Calculations
Haohao Fu, Haochuan Chen, Wensheng Cai, et al.
Journal of Chemical Information and Modeling (2021) Vol. 61, Iss. 5, pp. 2116-2123
Closed Access | Times Cited: 64
Free Energy Methods in Drug Discovery—Introduction
Zoe Cournia, Christophe Chipot, Benoı̂t Roux, et al.
ACS symposium series (2021), pp. 1-38
Closed Access | Times Cited: 56
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications
Shasha Feng, Soohyung Park, Yeol Kyo Choi, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 8, pp. 2161-2185
Open Access | Times Cited: 41
phbuilder: A Tool for Efficiently Setting up Constant pH Molecular Dynamics Simulations in GROMACS
Anton Jansen, Noora Aho, Gerrit Groenhof, et al.
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 3, pp. 567-574
Open Access | Times Cited: 10
GENESIS 2.1: High-Performance Molecular Dynamics Software for Enhanced Sampling and Free-Energy Calculations for Atomistic, Coarse-Grained, and Quantum Mechanics/Molecular Mechanics Models
Jaewoon Jung, Kiyoshi Yagi, Cheng Tan, et al.
The Journal of Physical Chemistry B (2024) Vol. 128, Iss. 25, pp. 6028-6048
Open Access | Times Cited: 9
Marine Sulfated Polysaccharides as Promising Antiviral Agents: A Comprehensive Report and Modeling Study Focusing on SARS CoV-2
Abdalla E. M. Salih, Bathini Thissera, Mohammed Yaseen, et al.
Marine Drugs (2021) Vol. 19, Iss. 8, pp. 406-406
Open Access | Times Cited: 48
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER
Han Zhang, Seonghoon Kim, Timothy J. Giese, et al.
Journal of Chemical Information and Modeling (2021) Vol. 61, Iss. 9, pp. 4145-4151
Open Access | Times Cited: 43
Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE
Wei‐Guang Wang, Kirill Tsirulnikov, Hristina R. Zhekova, et al.
Nature Communications (2021) Vol. 12, Iss. 1
Open Access | Times Cited: 41
Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method
Solmaz Azimi, Sheenam Khuttan, Joe Z. Wu, et al.
Journal of Chemical Information and Modeling (2022) Vol. 62, Iss. 2, pp. 309-323
Open Access | Times Cited: 37
Comparing the Performance of Different AMBER Protein Forcefields, Partial Charge Assignments, and Water Models for Absolute Binding Free Energy Calculations
David J. Huggins
Journal of Chemical Theory and Computation (2022) Vol. 18, Iss. 4, pp. 2616-2630
Closed Access | Times Cited: 33
Design and Synthesis of Novel 1,3,4-Oxadiazole and 1,2,4-Triazole Derivatives as Cyclooxygenase-2 Inhibitors with Anti-inflammatory and Antioxidant activity in LPS-stimulated RAW264.7 Macrophages
Mohamed M. S. Hamoud, Nermine A. Osman, Samar Rezq, et al.
Bioorganic Chemistry (2022) Vol. 124, pp. 105808-105808
Open Access | Times Cited: 33
Neoechinulin A as a Promising SARS-CoV-2 Mpro Inhibitor: In Vitro and In Silico Study Showing the Ability of Simulations in Discerning Active from Inactive Enzyme Inhibitors
Hani A. Alhadrami, Gaia Burgio, Bathini Thissera, et al.
Marine Drugs (2022) Vol. 20, Iss. 3, pp. 163-163
Open Access | Times Cited: 28
pyCHARMM: Embedding CHARMM Functionality in a Python Framework
Joshua Buckner, Xiaorong Liu, Arghya Chakravorty, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 12, pp. 3752-3762
Closed Access | Times Cited: 19
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
BAT2: an Open-Source Tool for Flexible, Automated, and Low Cost Absolute Binding Free Energy Calculations
Germano Heinzelmann, David J. Huggins, Michael K. Gilson
Journal of Chemical Theory and Computation (2024) Vol. 20, Iss. 15, pp. 6518-6530
Open Access | Times Cited: 6
Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures
Hugo Guterres, Sang‐Jun Park, Wei Jiang, et al.
Journal of Chemical Information and Modeling (2020) Vol. 61, Iss. 1, pp. 535-546
Open Access | Times Cited: 40
Exploring the Minimum-Energy Pathways and Free-Energy Profiles of Enzymatic Reactions with QM/MM Calculations
Kiyoshi Yagi, Shingo Ito, Yuji Sugita
The Journal of Physical Chemistry B (2021) Vol. 125, Iss. 18, pp. 4701-4713
Open Access | Times Cited: 36
Standard Binding Free-Energy Calculations: How Far Are We from Automation?
Haohao Fu, Christophe Chipot, Xueguang Shao, et al.
The Journal of Physical Chemistry B (2023) Vol. 127, Iss. 49, pp. 10459-10468
Closed Access | Times Cited: 13
Anti-Alzheimer chemical constituents of Morus macroura Miq.: chemical profiling, in silico and in vitro investigations
Seham S. El‐Hawary, Ahmed M. Sayed, Marwa Y. Issa, et al.
Food & Function (2021) Vol. 12, Iss. 17, pp. 8078-8089
Closed Access | Times Cited: 27
New Halogenated Compounds from Halimeda macroloba Seaweed with Potential Inhibitory Activity against Malaria
Abeer H. Elmaidomy, Eman Maher Zahran, Raya Soltane, et al.
Molecules (2022) Vol. 27, Iss. 17, pp. 5617-5617
Open Access | Times Cited: 22
Meta-Analysis Reveals That Absolute Binding Free-Energy Calculations Approach Chemical Accuracy
Haohao Fu, Yan-Bang Zhou, Jing Xiang, et al.
Journal of Medicinal Chemistry (2022) Vol. 65, Iss. 19, pp. 12970-12978
Closed Access | Times Cited: 22
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