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Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units |
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| Authors: | Xiping Gong Mara Chiricotto Xiaorong Liu Erik Nordquist Michael Feig Charles L. Brooks III Jianhan Chen |
| Affiliation: | 1. Department of Chemistry, University of Massachusetts, Amherst, Amherst, Massachusetts, 01003;2. Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan, 48824;3. Department of Chemistry, University of Michigan, Ann Arbor, Michigan, 48109 |
| Abstract: | |
| Keywords: | CHARMM generalized Born OpenMM protein conformation solvation free energy |