"Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes ..."

Junchao Xia et al. (2019)

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DOI: 10.1021/ACS.JCIM.8B00817

access: closed

type: Journal Article

metadata version: 2021-06-01

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Junchao Xia, William F. Flynn, Emilio Gallicchio, Keith Uplinger, Jonathan D. Armstrong, Stefano Forli, Arthur J. Olson, Ronald M. Levy:
Massive-Scale Binding Free Energy Simulations of HIV Integrase Complexes Using Asynchronous Replica Exchange Framework Implemented on the IBM WCG Distributed Network. J. Chem. Inf. Model. 59(4): 1382-1397 (2019)

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