Local Kernel Regression and Neural Network Approaches to the Conformational Landscapes of Oligopeptides

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Authors: Raimon Fabregat, Alberto Fabrizio, Edgar A. Engel, Benjamin Meyer, Veronika Juraskova, Michele Ceriotti, Clemence Corminboeuf

Journal title: Journal of Chemical Theory and Computation

Journal publisher: American Chemical Society

Published year: 2022

DOI identifier: 10.1021/acs.jctc.1c00813

ISSN: 1549-9618