Are Automated Molecular Dynamics Simulations and Binding...

Journal of Chemical Information and Modeling 2006 / 09 Vol. 46; Iss. 5

Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method

Stjernschantz, Eva, Marelius, John, Medina, Carmen, Jacobsson, Micael, Vermeulen, Nico P. E., Oostenbrink, Chris
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Volume:
46
Language:
english
Journal:
Journal of Chemical Information and Modeling
DOI:
10.1021/ci0601214
Date:
September, 2006
File:
PDF, 438 KB
english, 2006
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