Efficient Round-Trip Time Optimization for Replica-Exchange Enveloping Distribution Sampling (RE-EDS)
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Date
2017-05-16Type
- Journal Article
Publication status
publishedJournal / series
Journal of Chemical Theory and ComputationVolume
Pages
Publisher
American Chemical Society (ACS)Organisational unit
09458 - Riniker, Sereina Z.
Funding
159713 - Computer simulation of small organic molecules for computer-aided drug design (SNF)
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