Biomolecular Simulation: A Perspective from High Performance Computing-Reference-Cited by-同舟云学术

Biomolecular Simulation: A Perspective from High Performance Computing

Published:2020-05-25 Issue:7 Volume:60 Page:694-704
ISSN:0021-2148
Container-title:Israel Journal of Chemistry
language:en
Short-container-title:Isr. J. Chem.

Author:

Bolnykh Viacheslav¹^ORCID,Rothlisberger Ursula¹,Carloni Paolo²

Affiliation:

1. Laboratory of Computational Chemistry and BiochemistryÉcole Polytechnique Fédérale de Lausanne Switzerland

2. Institute for Neuroscience and Medicine and Institute for Advanced Simulations (IAS-5/INM-9) “Computational Biomedicine”, JARA-Institute INM-11 “Molecular Neuroscience and Neuroimaging”Forschungszentrum Jülich Germany

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Deutsche Forschungsgemeinschaft

European Commission

Publisher

Wiley

Subject

General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/ijch.202000022

Reference59 articles.

1. Stereochemical errors and their implications for molecular dynamics simulations

2. ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

3. CHARMM: The biomolecular simulation program

4. D. E. Shaw J. P. Grossman J. A. Bank B. Batson J. A. Butts J. C. Chao M. M. Deneroff R. O. Dror A. Even C. H. Fenton et al. Anton 2: Raising the Bar for Performance and Programmability in a Special-Purpose Molecular Dynamics Supercomputer SC'14: Proceedings of the International Conference for High Performance Computing Networking Storage and Analysis 2014 pp. 41–53. .

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