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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude

Christopher M Baker1, Pedro E M Lopes, Xiao Zhu

  • 1Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, 20 Penn Street, Baltimore, MD 21201, and the Department of Biochemistry and Molecular Biology, The University of Chicago, 929 East 57 Street, Chicago, IL 60637.

Journal of Chemical Theory and Computation
|April 20, 2010
PubMed

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