Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer-Reference-Cited by-同舟云学术

Scaling of Multimillion-Atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer

Published:2009-08-27 Issue:10 Volume:5 Page:2798-2808
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Schulz Roland¹,Lindner Benjamin¹,Petridis Loukas¹,Smith Jeremy C.¹

Affiliation:

1. Center for Molecular Biophysics, Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, Tennessee 37831, Department of Biochemistry and Cellular and Molecular Biology, University of Tennessee, M407 Walters Life Sciences 1414 Cumberland Avenue, Knoxville, Tennessee 37996, and BioEnergy Science Center, Oak Ridge National Laboratory, 1 Bethel Valley Road, Oak Ridge, Tennessee 37831

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900292r

Reference65 articles.

1. Computational Biochemistry and Biophysics

2. Dynamics of folded proteins

3. Scalable molecular dynamics with NAMD

4. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

5. Fast Parallel Algorithms for Short-Range Molecular Dynamics

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