Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method-Reference-Cited by-同舟云学术

Complete reconstruction of dasatinib unbinding pathway from c-Src kinase by supervised molecular dynamics simulation method; assessing efficiency and trustworthiness of the method

Published:2021-09-02 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Sohraby Farzin¹,Javaheri Moghadam Mostafa¹,Aliyar Masoud¹,Aryapour Hassan¹^ORCID

Affiliation:

1. Department of Biology, Faculty of Science, Golestan University, Gorgan, Iran

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1972839

Reference66 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. The Process of Structure-Based Drug Design

3. The Protein Data Bank

4. An Integrated Markov State Model and Path Metadynamics Approach To Characterize Drug Binding Processes

5. Signalling the fat controller

Cited by 3 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. Reconstruction of the unbinding pathways of new inhibitors of the SARS-CoV-2 papain-like protease using molecular dynamics simulation;Journal of Biomolecular Structure and Dynamics;2023-07-28

2. Advances in computational methods for ligand binding kinetics;Trends in Biochemical Sciences;2023-05

3. No dance, no partner! A tale of receptor flexibility in docking and virtual screening;Virtual Screening and Drug Docking;2022