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SAMPL6 host-guest blind predictions using a non equilibrium alchemical approach.

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Bibliographic Details
Title: SAMPL6 host-guest blind predictions using a non equilibrium alchemical approach.
Authors: Procacci, Piero1, procacci@unifi.it, Guarrasi, Massimiliano2, m.guarrasi@cineca.it, Guarnieri, Guido3, guido.guarnieri@enea.it
Source: Journal of Computer-Aided Molecular Design; Oct2018, Vol. 32 Issue 10, p965-982, 18p
Database: Applied Science & Technology Source
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ISSN:0920654X
DOI:10.1007/s10822-018-0151-9