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Journal of Molecular Recognition : JMR|August 11, 2015
Parameterization of an effective potential for protein-ligand binding from host-guest affinity dataLauren Wickstrom, Nanjie Deng, Peng He, et al.Journal of Computer-Aided Molecular Design|October 4, 2016
A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challengeRajat Kumar Pal, Kamran Haider, Divya Kaur, et al.Journal of Computer-Aided Molecular Design|February 8, 2014
Virtual screening of integrase inhibitors by large scale binding free energy calculations: the SAMPL4 challengeEmilio Gallicchio, Nanjie Deng, Peng He, et al.The Journal of Physical Chemistry. B|September 6, 2014
Distinguishing binders from false positives by free energy calculations: fragment screening against the flap site of HIV proteaseNanjie Deng, Stefano Forli, Peng He, et al.Pageof 3