Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?
2008; Springer Science+Business Media; Volume: 22; Issue: 3-4 Linguagem: Inglês
10.1007/s10822-007-9163-6
ISSN1573-4951
AutoresJohannes Kirchmair, Patrick Markt, Simona Distinto, Gerhard Wolber, Thierry Langer,
Tópico(s)Machine Learning in Materials Science
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