SAMPL6 host–guest challenge: binding free energies via a multistep approach
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Title
SAMPL6 host–guest challenge: binding free energies via a multistep approach
Authors
Keywords
SAMPL6, Host–guest, MMPBSA, DFT-D3, RI-DFT, Implicit solvent model, Computer-aided drug design
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume -, Issue -, Pages -
Publisher
Springer Nature America, Inc
Online
2018-09-17
DOI
10.1007/s10822-018-0159-1
References
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