Blinded prediction of protein–ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4
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Title
Blinded prediction of protein–ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4
Authors
Keywords
Drug design, Binding affinity, Alchemical free energy calculations, Thermodynamic integration, Amber
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume -, Issue -, Pages -
Publisher
Springer Science and Business Media LLC
Online
2019-09-25
DOI
10.1007/s10822-019-00223-x
References
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