Improved estimation of ligand–macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods

Author： Khandelwal Akash   Balaz Stefan  

Publisher： Springer Publishing Company

ISSN： 0920-654X

Source： Journal of Computer-Aided Molecular Design, Vol.21, Iss.1-3, 2007-01, pp. : 131-137

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