Molecular Dynamics Sampling is a computational method within conformational sampling that uses Newtonian equations of motion to explore the time-evolution of molecular configurations in a system.
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Canonical sampling through velocity rescaling
Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 18.4K citations · Full text
Natural Sciences, Chemistry, Physics +17
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ETH Zurich
Zurich, Switzerland
17 h-index
57 publications
65K citations
University of Chicago
Chicago, United States
14 h-index
60 publications
3.6K citations
Centre National de la Recherche Scientifique
Paris, France
13 h-index
43 publications
8.2K citations
University of Illinois Urbana-Champaign
Urbana, United States
12 h-index
37 publications
60.1K citations
University of Notre Dame
Notre Dame, United States
11 h-index
31 publications
1.8K citations
University of Pittsburgh
Pittsburgh, United States
10 h-index
22 publications
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University of California San Diego
San Diego, United States
10 h-index
30 publications
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New York University
New York, United States
10 h-index
22 publications
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- The Journal of Chemical Physics
99 publications · 30.5K citations
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- Journal of Chemical Theory and Computation
JCTC · 83 publications · 6.8K citations
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- Journal of Computational Chemistry
28 publications · 1.6K citations
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- The Journal of Physical Chemistry B
26 publications · 1.6K citations
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- Chemical Physics Letters
13 publications · 1.4K citations
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