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Piero Procacci, Guido Guarnieri. SAMPL7 blind predictions using nonequilibrium alchemical approaches. Journal of Computer-Aided Molecular Design, 35(1):37-47, 2021. [doi]

The following publications are possibly variants of this publication:

SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approachesPiero Procacci, Guido Guarnieri. jcamd, 34(4):371-384, 2020. [doi]

SAMPL6 host-guest blind predictions using a non equilibrium alchemical approachPiero Procacci, Massimiliano Guarrasi, Guido Guarnieri. jcamd, 32(10):965-982, 2018. [doi]

Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challengesLorenzo Casbarra, Piero Procacci. jcamd, 35(6):721-729, 2021. [doi]

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