Progress in Ab Initio QM/MM...

Journal of Physical Chemistry B 2009 / 02 Vol. 113; Iss. 5

Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of p K a , Redox Reactions and Solvation Free Energies †

Kamerlin, Shina C. L., Haranczyk, Maciej, Warshel, Arieh
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Volume:
113
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp8071712
Date:
February, 2009
File:
PDF, 1.65 MB
english, 2009
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