Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulations-Reference-Cited by-同舟云学术

Scaling molecular dynamics beyond 100,000 processor cores for large‐scale biophysical simulations

Published:2019-04-17 Issue:21 Volume:40 Page:1919-1930
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Jung Jaewoon¹^ORCID,Nishima Wataru²³,Daniels Marcus²,Bascom Gavin⁴,Kobayashi Chigusa¹^ORCID,Adedoyin Adetokunbo²,Wall Michael¹,Lappala Anna²^ORCID,Phillips Dominic²,Fischer William²,Tung Chang‐Shung²,Schlick Tamar⁴,Sugita Yuji¹^ORCID,Sanbonmatsu Karissa Y.²³

Affiliation:

1. Computational Biophysics Research Team RIKEN Center for Computational Science Kobe 650‐0047 Japan

2. Los Alamos National Laboratory Los Alamos New Mexico

3. New Mexico Consortium Los Alamos New Mexico

4. New York University New York New York

Funder

Los Alamos National Laboratory

RIKEN

U.S. Department of Energy

National Institute of General Medical Sciences

University of Tokyo

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25840

Reference34 articles.

1. Dynamics of folded proteins

2. T.Narumiet al.Proceedings of the 2006 ACM/IEEE Conference on Supercomputing Tampa Florida.ACM:New York 2006.

3. D. E.Shawet al.ISCA '07: Proceedings of the 34th Annual International Symposium on Computer Architecture San Diego California.ACM:New York 2007.

4. D. E.Shawet al.SC '14: Proceedings of the International Conference for High Performance Computing Networking Storage and Analysis New Orleans Louisiana.IEEE press:Piscataway NJ USA 2014.

5. Atomic-Level Characterization of the Structural Dynamics of Proteins

Cited by 82 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. Computational approaches to investigate fluoride binding, selectivity and transport across the membrane;Methods in Enzymology;2024

2. Section Introduction: Molecular Dynamics Simulations and Reaction Rates;Comprehensive Computational Chemistry;2024

3. Inhibitor design for TMPRSS2: insights from computational analysis of its backbone hydrogen bonds using a simple descriptor;European Biophysics Journal;2023-12-29

4. LPATH: A Semiautomated Python Tool for Clustering Molecular Pathways;Journal of Chemical Information and Modeling;2023-12-04

5. SPANA: Spatial decomposition analysis for cellular‐scale molecular dynamics simulations;Journal of Computational Chemistry;2023-11-15