Coordinator | Schug, Alexander |
Grant period | 2019-11-01 - 2020-10-31 |
Funding body | NIC |
Identifier | G:(DE-Juel1)hka22_20191101 |
All known publications ...
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Journal Article
pyrexMD: Workflow-Orientated Python Package for Replica Exchange Molecular Dynamics
The journal of open source software 6(68), 3325 - (2021) [10.21105/joss.03325]
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Journal Article
CORE-MD II: A fast, adaptive, and accurate enhanced sampling method
The journal of chemical physics 155(10), 104114 - (2021) [10.1063/5.0063664]
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