CHARMM-GUI 10 years for biomolecular modeling and simulation-Reference-Cited by-同舟云学术

CHARMM-GUI 10 years for biomolecular modeling and simulation

Published:2016-11-14 Issue:15 Volume:38 Page:1114-1124
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Jo Sunhwan¹,Cheng Xi²,Lee Jumin³,Kim Seonghoon³,Park Sang-Jun³,Patel Dhilon S.³,Beaven Andrew H.⁴,Lee Kyu Il³,Rui Huan⁵,Park Soohyung³,Lee Hui Sun³,Roux Benoît⁵,MacKerell Alexander D.⁶,Klauda Jeffrey B.⁷,Qi Yifei³,Im Wonpil³

Affiliation:

1. Leadership Computing Facility; Argonne National Laboratory; 9700 Cass Ave Argonne Illinois

2. Drug Discovery and Design Center, State Key Laboratory of Drug Research; Shanghai Institute of Materia Medica Chinese Academy of Sciences; 555 Zuchongzhi Road Pudong Shanghai 201203 China

3. Department of Biological Sciences and Bioengineering Program; Lehigh University; Pennsylvania

4. Department of Chemistry; The University of Kansas; Lawrence Kansas

5. Department of Biochemistry and Molecular Biology; The University of Chicago; Chicago Illinois

6. Department of Pharmaceutical Sciences School of Pharmacy; University of Maryland; Baltimore Maryland

7. Department of Chemical and Biomolecular Engineering and the Biophysics Program; University of Maryland College Park; Maryland

Funder

NSF

National Institutes of Health

Division of Molecular and Cellular Biosciences

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference148 articles.

1. Molecular dynamics and protein function

2. The Cavity and Pore Helices in the KcsA K + Channel: Electrostatic Stabilization of Monovalent Cations

3. Ions and Counterions in a Biological Channel: A Molecular Dynamics Simulation of OmpF Porin from Escherichia coli in an Explicit Membrane with 1M KCl Aqueous Salt Solution

4. Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function

5. How Fast-Folding Proteins Fold

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