QresFEP: an automated protocol for the free energy...

Journal of Chemical Theory and Computation 2019 / 08

QresFEP: an automated protocol for the free energy calculation of protein mutations in Q

Jespers, Willem, Isaksen, Geir Villy, Andberg, Tor A.H., Vasile, Silvana, van Veen, Amber, Åqvist, Johan, Brandsdal, Bjorn-Olav, Gutiérrez de Terán, Hugo
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00538
Date:
August, 2019
File:
PDF, 2.33 MB
english, 2019
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