Volume 31, Issue 1, January 2017
Special Issue: Host-guest binding affinity prediction: The SAMPL5 challenge - Part 2 of 2 - Statistical Assessment of the Modeling of Proteins and Ligands
Issue Editors:
- David L Mobley,
- DAVID L MOBLEY
- … show all 2 hide
ISSN:
0920-654X (Print)
1573-4951 (Online)
In this issue (12 articles)
-
OriginalPaper
Overview of the SAMPL5 host–guest challenge: Are we doing better?
Jian Yin, Niel M. Henriksen… Pages 1-19 -
OriginalPaper
Absolute binding free energies for octa-acids and guests in SAMPL5
Florentina Tofoleanu, Juyong Lee… Pages 107-118 -
OriginalPaper
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R. Shirts, Christoph Klein… Pages 147-161

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