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Small Molecule Hydration Free Energies in Explicit Solvent: An Extensive Test of Fixed-Charge Atomistic Simulations
Mobley, David L., Bayly, Christopher I., Cooper, Matthew D., Shirts, Michael R., Dill, Ken A.Volume:
5
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct800409d
Date:
February, 2009
File:
PDF, 405 KB
english, 2009