Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges |
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| Authors: | Casbarra Lorenzo Procacci Piero |
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| Institution: | 1.University of Florence, Department of Chemistry, Via Lastruccia n. 3, I-50019, Sesto Fiorentino, FI, Italy
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| Abstract: | Journal of Computer-Aided Molecular Design - We systematically tested the Autodock4 docking program for absolute binding free energy predictions using the host-guest systems from the recent SAMPL6,... |
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