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
  • 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
  • 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

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