Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis-Reference-Cited by-同舟云学术

Insights into Mcl-1 Conformational States and Allosteric Inhibition Mechanism from Molecular Dynamics Simulations, Enhanced Sampling, and Pocket Crosstalk Analysis

Published:2020-05-11 Issue:6 Volume:60 Page:3172-3187
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Benabderrahmane Mohammed¹,Bureau Ronan¹,Voisin-Chiret Anne Sophie¹^ORCID,Sopkova-de Oliveira Santos Jana¹^ORCID

Affiliation:

1. Normandy Univ, UNICAEN, Centre d’Etude et Recherche sur le Médicament de Normandie (CERMN), 14000 Caen, France

Funder

Allocations de recherche du Minist?re de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.0c00315

Reference57 articles.

1. Enzymes at work are enzymes in motion

2. Protein Allostery and Conformational Dynamics

3. The Energy Landscapes and Motions of Proteins

4. Role of Molecular Dynamics and Related Methods in Drug Discovery

5. Mechanisms of Action of Bcl-2 Family Proteins

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