myPresto/omegagene 2020: a molecular dynamics simulation engine for virtual-system coupled sampling-Reference-Cited by-同舟云学术

myPresto/omegagene 2020: a molecular dynamics simulation engine for virtual-system coupled sampling

Published:2020 Issue:0 Volume:17 Page:140-146
ISSN:2189-4779
Container-title:Biophysics and Physicobiology
language:en
Short-container-title:BIOPHYSICS

Author:

Kasahara Kota¹,Terazawa Hiroki²,Itaya Hayato²,Goto Satoshi²,Nakamura Haruki³,Takahashi Takuya¹,Higo Junichi⁴

Affiliation:

1. College of Life Sciences, Ritsumeikan University

2. Graduate School of Life Sciences, Ritsumeikan University

3. Institute for Protein Research, Osaka University

4. Graduate School of Simulation Studies, University of Hyogo

Publisher

Biophysical Society of Japan

Subject

General Medicine

Link

https://www.jstage.jst.go.jp/article/biophysico/17/0/17_BSJ-2020013/_pdf

Reference44 articles.

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3. [3] Shaw, D. E., Grossman, J. P., Bank, J. A., Batson, B., Butts, J. A., Chao, J. C., et al. Anton 2: raising the bar for performance and programmability in a special-purpose molecular dynamics supercomputer. SC ’14: Proceeding of the International Conference for High Performance Computing, Networking, Storage and Analysis, 41–53 (2014).

4. [4] Ohmura, I., Morimoto, G., Ohno, Y., Hasegawa, A. & Taiji, M. MDGRAPE-4: a special-purpose computer system for molecular dynamics simulations. Philos. Trans. A Math. Phys. Eng. Sci. 372, 20130387 (2014). DOI: 10.1098/rsta.2013.0387

5. [5] Götz, A. W., Williamson, M. J., Xu, D., Poole, D., Le Grand, S. & Walker, R. C. Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 1. Generalized Born. J. Chem. Theory Comput. 8, 1542–1555 (2012). DOI: 10.1021/ct200909j

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