Ranking docking poses by graph matching of protein–ligand interactions: lessons learned from the D3R Grand Challenge 2
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Title
Ranking docking poses by graph matching of protein–ligand interactions: lessons learned from the D3R Grand Challenge 2
Authors
Keywords
Docking, D3R, Drug discovery data resource, Grand Challenge
Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 32, Issue 1, Pages 75-87
Publisher
Springer Nature
Online
2017-08-01
DOI
10.1007/s10822-017-0046-1
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