Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model
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- Devleena Shivakumar
- Department of Biochemistry & Molecular Biology, University of Chicago, 929 East 57th Street, Chicago, Illinois 60637, and Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439
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- Yuqing Deng
- Department of Biochemistry & Molecular Biology, University of Chicago, 929 East 57th Street, Chicago, Illinois 60637, and Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439
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- Benoît Roux
- Department of Biochemistry & Molecular Biology, University of Chicago, 929 East 57th Street, Chicago, Illinois 60637, and Biosciences Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, Illinois 60439
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 5 (4), 919-930, 2009-03-24
American Chemical Society (ACS)