Prediction of Protein-Ligand Binding Poses via a...

Journal of Chemical Theory and Computation 2016 / 05

Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations

Clark, Anthony J., Tiwary, Pratyush, Borrelli, Ken, Feng, Shulu, Miller, Edward Blake, Abel, Robert, Friesner, Richard A, Berne, Bruce J.
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b00201
Date:
May, 2016
File:
PDF, 2.15 MB
english, 2016
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