A Comparison of QM/MM Simulations with and without the...

Molecules 2018 / 10 Vol. 23; Iss. 10

A Comparison of QM/MM Simulations with and without the Drude Oscillator Model Based on Hydration Free Energies of Simple Solutes

König, Gerhard, Pickard, Frank, Huang, Jing, Thiel, Walter, MacKerell, Alexander, Brooks, Bernard, York, Darrin
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Volume:
23
Language:
english
Journal:
Molecules
DOI:
10.3390/molecules23102695
Date:
October, 2018
File:
PDF, 416 KB
english, 2018
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