Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide-Reference-Cited by-同舟云学术

Efficient Atomistic Simulation of Pathways and Calculation of Rate Constants for a Protein–Peptide Binding Process: Application to the MDM2 Protein and an Intrinsically Disordered p53 Peptide

Published:2016-08-22 Issue:17 Volume:7 Page:3440-3445
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Zwier Matthew C.¹,Pratt Adam J.,Adelman Joshua L.,Kaus Joseph W.,Zuckerman Daniel M.,Chong Lillian T.²

Affiliation:

1. Department of Chemistry, Drake University, Des Moines, Iowa 50311, United States

2. Institute of Biochemistry and Biotechnology, Martin-Luther Universität Halle-Wittenberg, Halle 06120, Germany

Funder

Division of Molecular and Cellular Biosciences

University of Pittsburgh

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.6b01502

Reference59 articles.

1. Pathway and mechanism of drug binding to G-protein-coupled receptors

2. How Does a Drug Molecule Find Its Target Binding Site?

3. High-Throughput All-Atom Molecular Dynamics Simulations Using Distributed Computing

4. Electrostatic funneling of substrate in mitochondrial inner membrane carriers

5. Visualizing the Induced Binding of SH2-Phosphopeptide

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