DFFR: A NEW METHOD FOR HIGH-THROUGHPUT RECALIBRATION OF AUTOMATIC FORCE-FIELDS FOR DRUGS

Summary

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Authors: David Moreno, Sanja Zivanovic, Francesco Colizzi, Adam Hospital, Juan Aranda, Robert Soliva, Modesto Orozco

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2020

DOI identifier: 10.1021/acs.jctc.0c00306

ISSN: 1549-9618