Stochastic Approximation to MBAR and TRAM: Batchwise Free Energy Estimation

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Authors: Maaike M. Galama; Hao Wu; Andreas Krämer; Mohsen Sadeghi; Frank Noé

Journal title: J. Chem. Theory Comput.

Journal number: 19

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 758–766

DOI identifier: 10.1021/acs.jctc.2c00976

ISSN: 1549-9626