An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings

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Authors: Irene Maffucci, Xiao Hu, Valentina Fumagalli, Alessandro Contini

Journal title: Frontiers in Chemistry

Journal number: 6

Journal publisher: EDITED BY Daniela Schuster Paracelsus Medizinische Privatuniversität, Salzburg, Austria

Published year: 2018

DOI identifier: 10.3389/fchem.2018.00043

ISSN: 2296-2646