Understanding the impact of binding free energy and kinetics calculations in modern drug discovery-Reference-Cited by-同舟云学术

Understanding the impact of binding free energy and kinetics calculations in modern drug discovery

Published:2024-05-09 Issue:6 Volume:19 Page:671-682
ISSN:1746-0441
Container-title:Expert Opinion on Drug Discovery
language:en
Short-container-title:Expert Opinion on Drug Discovery

Author:

Adediwura Victor A.¹^ORCID,Koirala Kushal¹^ORCID,Do Hung N.²^ORCID,Wang Jinan¹^ORCID,Miao Yinglong¹^ORCID

Affiliation:

1. Department of Pharmacology and Computational Medicine Program, University of North Carolina at Chapel Hill, Chapel Hill, NC, USA

2. Center for Computational Biology, University of Kansas, Lawrence, KS, USA

Funder

National Institutes of Health

National Science Foundation

University of North Carolina

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/17460441.2024.2349149

Reference116 articles.

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4. Deep architectures and deep learning in chemoinformatics: the prediction of aqueous solubility for drug-like molecules;Lusci A;J Chem Inf Model,2016

5. Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD): Characterization of Ligand Binding Thermodynamics and Kinetics

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