pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols. (Q51937161)
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scientific article published in September 2005
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols. |
scientific article published in September 2005 |
Statements
pKa calculations in solution and proteins with QM/MM free energy perturbation simulations: a quantitative test of QM/MM protocols. (English)
Demian Riccardi
Patricia Schaefer
Qiang Cui
1 September 2005
17715-17733