Optimization of parallel implementation of <scp>UNRES</scp> package for coarse‐grained simulations to treat large proteins-Reference-Cited by-同舟云学术

Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins

Published:2022-11-15 Issue:4 Volume:44 Page:602-625
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Sieradzan Adam K.¹²^ORCID,Sans‐Duñó Jordi³,Lubecka Emilia A.⁴^ORCID,Czaplewski Cezary¹²^ORCID,Lipska Agnieszka G.¹²^ORCID,Leszczyński Henryk⁵,Ocetkiewicz Krzysztof M.²,Proficz Jerzy²^ORCID,Czarnul Paweł⁴^ORCID,Krawczyk Henryk²⁴^ORCID,Liwo Adam¹²^ORCID

Affiliation:

1. Faculty of Chemistry University of Gdańsk, Fahrenheit Union of Universities in Gdańsk Gdańsk Poland

2. Centre of Informatics Tri‐city Academic Supercomputer and Network (CI TASK) Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk Gdańsk Poland

3. Department of Chemistry University of Lleida Lleida Spain

4. Faculty of Electronics, Telecommunication and Informatics Gdańsk University of Technology, Fahrenheit Union of Universities in Gdańsk Gdańsk Poland

5. Faculty of Mathematics, Physics and Informatics University of Gdańsk, Fahrenheit Union of Universities in Gdańsk Gdańsk Poland

Funder

Narodowe Centrum Nauki

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27026

Reference91 articles.

1. Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins

2. Protein-Folding Dynamics: Overview of Molecular Simulation Techniques