DockOnSurf: A Python Code for the High-Throughput Screening of Flexible Molecules Adsorbed on Surfaces
Author:
Affiliation:
1. Univ Lyon, Ens de Lyon, CNRS UMR 5182, Laboratoire de Chimie, F69342 Lyon, France
2. Total Marketing & Services, Chemin du Canal—BP 22, 69360 Solaize, France
Funder
Total
Association Nationale de la Recherche et de la Technologie
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00256
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