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Q37411723-B75ED743-473E-423A-B78C-A23C6778221A
Q37411723-B75ED743-473E-423A-B78C-A23C6778221A
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http://www.wikidata.org/entity/statement/Q37411723-B75ED743-473E-423A-B78C-A23C6778221A
Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.
P2860
Q37411723-B75ED743-473E-423A-B78C-A23C6778221A
BestRank
Statement
http://www.wikidata.org/entity/statement/Q37411723-B75ED743-473E-423A-B78C-A23C6778221A
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487f5db0db13af3c7f4015c6421fb3b5a6664622
P2860
Determination of free energy profiles by repository based adaptive umbrella sampling: bridging nonequilibrium and quasiequilibrium simulations