Identifying ligand binding sites and poses using...

Journal of Computer-Aided Molecular Design 2013 / 12 Vol. 27; Iss. 12

Identifying ligand binding sites and poses using GPU-accelerated Hamiltonian replica exchange molecular dynamics

Wang, Kai, Chodera, John D., Yang, Yanzhi, Shirts, Michael R.
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Volume:
27
Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-013-9689-8
Date:
December, 2013
File:
PDF, 856 KB
english, 2013
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