Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β-Reference-Cited by-同舟云学术

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Milestoning simulation of ligand dissociation from the glycogen synthase kinase 3β

Published:2022-09-24 Issue:2 Volume:91 Page:209-217
ISSN:0887-3585
Container-title:Proteins: Structure, Function, and Bioinformatics
language:en
Short-container-title:Proteins

Author:

Rathnayake Samith¹,Narayan Brajesh²,Elber Ron³,Wong Chung F.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry University of Missouri‐St. Louis St. Louis Missouri United States

2. School of Physics University College Dublin Belfield Dublin Ireland

3. Department of Chemistry, Oden Institute for Computational Engineering and Science The University of Texas at Austin Austin Texas United States

Funder

National Institutes of Health

Welch Foundation

National Science Foundation

Publisher

Wiley

Subject

Molecular Biology,Biochemistry,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/prot.26423

Reference60 articles.

1. Residence Time of Receptor−Ligand Complexes and Its Effect on Biological Function

2. Drug–target residence time and its implications for lead optimization

3. The importance of drug‐target residence time;Zhang R;Curr Opin Drug Discov Devel,2009

4. The role of binding kinetics in therapeutically useful drug action;Swinney DC;Curr Opin Drug Discov Devel,2009

5. Can Binding Kinetics Translate to a Clinically Differentiated Drug? From Theory to Practice

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Quantitative Prediction of Dissociation Rates of PYK2 Ligands Using Umbrella Sampling and Milestoning;Journal of Chemical Theory and Computation;2024-04-19

2. 15 Years of molecular simulation of drug-binding kinetics;Expert Opinion on Drug Discovery;2023-10-04

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