Adaptive patch grid strategy for parallel protein folding using atomic burials with NAMD-Reference-Cited by-同舟云学术

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Adaptive patch grid strategy for parallel protein folding using atomic burials with NAMD

Published:2024-07 Issue: Volume:189 Page:104868
ISSN:0743-7315
Container-title:Journal of Parallel and Distributed Computing
language:en
Short-container-title:Journal of Parallel and Distributed Computing

Author:

Macedo Emerson A.,Melo Alba C.M.A.^ORCID

Publisher

Elsevier BV

Reference55 articles.

1. GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers;Abraham;SoftwareX,2015

2. Scalable molecular dynamics with NAMD on the summit system;Acun;IBM J. Res. Dev.,2018

3. Introduction to molecular dynamics simulation;Allen,2004

4. Principles that govern the folding of protein chains;Anfinsen;Science,1973

5. Fast neighbor lists for adaptive-resolution particle simulations;Awile;Comput. Phys. Commun.,2012

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