ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field

Author:

Zhang Xiaohua1ORCID,Sundram Shiv2,Oppelstrup Tomas1ORCID,Kokkila-Schumacher Sara I. L.3ORCID,Carpenter Timothy S.1ORCID,Ingólfsson Helgi I.1ORCID,Streitz Frederick H.1ORCID,Lightstone Felice C.1ORCID,Glosli James N.1ORCID

Affiliation:

1. Physical and Life Sciences (PLS) Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA

2. Computing Directorate, Lawrence Livermore National Laboratory, Livermore, California 94550, USA

3. IBM Research, IBM T.J. Watson Research Center, Yorktown Heights, New York 10598, USA

Funder

U.S. Department of Energy

Cancer Moonshot

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Cited by 20 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. Membrane lipids drive formation of KRAS4b-RAF1 RBDCRD nanoclusters on the membrane;Communications Biology;2024-02-28

2. Building complex membranes with Martini 3;Methods in Enzymology;2024

3. Parallel Algorithm Design and Optimization for Numerical Simulation Application of Ion Implantation in Silicon;2023 IEEE 29th International Conference on Parallel and Distributed Systems (ICPADS);2023-12-17

4. Pragmatic Coarse-Graining of Proteins: Models and Applications;Journal of Chemical Theory and Computation;2023-10-03

5. An implementation of the Martini coarse-grained force field in OpenMM;Biophysical Journal;2023-07

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