Modified Potential Functions Result in Enhanced Predictions of a Protein Complex by All-Atom Molecular Dynamics Simulations, Confirming a Stepwise Association Process for Native Protein–Protein Interactions-Reference-Cited by-同舟云学术

Modified Potential Functions Result in Enhanced Predictions of a Protein Complex by All-Atom Molecular Dynamics Simulations, Confirming a Stepwise Association Process for Native Protein–Protein Interactions

Published:2019-06-26 Issue:8 Volume:15 Page:4318-4331
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Li Zhen-lu¹^ORCID,Buck Matthias¹²

Affiliation:

1. Department of Physiology and Biophysics, Case Western Reserve University, School of Medicine, 10900 Euclid Avenue, Cleveland, Ohio 44106, United States

2. Departments of Pharmacology and Neurosciences, and Case Comprehensive Cancer Center, Case Western Reserve University, School of Medicine, 10900 Euclid Avenue, Cleveland, Ohio 44106, United States

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00195

Reference70 articles.

1. The kinetics of protein-protein recognition

2. Fundamental Aspects of Protein−Protein Association Kinetics

3. Emerging themes in the computational design of novel enzymes and protein-protein interfaces