نتایج جستجو برای: md simulations

تعداد نتایج: 275658  

2005
Naotaka Yamamoto Futoshi Shimizu Mitsuo Yokokawa Satoshi Sekiguchi Hideo Kaburaki Motoyoshi Kurokawa Ryutaro Himeno

In large-scale scientific simulations, we sometimes have access to supercomputers and largescale cluster systems of appropriate computer centers at remote sites as a way of obtaining large scale computer resources. In this case, some difficulties in using such resources due to differences in rules and job execution at each computer center have been found. Differences among remote sites to be ac...

Journal: :Biochemistry and molecular biology education : a bimonthly publication of the International Union of Biochemistry and Molecular Biology 2016
Donald E Elmore

Molecular dynamics (MD) simulations play an increasingly important role in many aspects of biochemical research but are often not part of the biochemistry curricula at the undergraduate level. This article discusses the pedagogical value of exposing students to MD simulations and provides information to help instructors consider what software and hardware resources are necessary to successfully...

Journal: :Biochemical and Biophysical Research Communications 2011

Journal: :Journal of Biomolecular Structure and Dynamics 2019

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