Author:
Işık Mehtap,Levorse Dorothy,Rustenburg Ariën S.,Ndukwe Ikenna E.,Wang Heather,Wang Xiao,Reibarkh Mikhail,Martin Gary E.,Makarov Alexey A.,Mobley David L.,Rhodes Timothy,Chodera John D.
Funder
National Cancer Institute
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry,Computer Science Applications,Drug Discovery
Reference60 articles.
1. Mobley DL, Chodera JD, Isaacs L, Gibb BC (2016) Advancing predictive modeling through focused development of model systems to drive new modeling innovations. UC Irvine: Department of Pharmaceutical Sciences, UCI.
https://escholarship.org/uc/item/7cf8c6cr
. Accessed 16 May 2018
2. Drug Design Data Resource, SAMPL.
https://drugdesigndata.org/about/sampl
. Accessed 16 May 2018
3. Nicholls A, Mobley DL, Guthrie JP, Chodera JD, Bayly CI, Cooper MD, Pande VS (2008) Predicting small-molecule solvation free energies: an informal blind test for computational chemistry. J Med Chem 51(4):769–779.
https://doi.org/10.1021/jm070549+
4. Guthrie JP (2009) A blind challenge for computational solvation free energies: introduction and overview. J Phys Chem B 113(14):4501–4507
5. Skillman AG, Geballe MT, Nicholls A (2010) SAMPL2 challenge: prediction of solvation energies and tautomer ratios. J Comput Aided Mol Des 24(4):257–258.
https://doi.org/10.1007/s10822-010-9358-0
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