From All-Atom Molecular Mechanics to Coarse- Grained Lattice Models: Computational Approaches to Problems in Protein Biochemistry
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Developing and validating Fuzzy-Border continuum solvation model with POlarizable Simulations Second order Interaction Model (POSSIM) force field for proteins
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Developing and Validating a Complete Second-order Polarizable Force Field for Proteins
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Accelerating SRD Simulation on GPU
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Phylogenetic Characterization of the Kinesin Superfamily and Functional Analysis of PpKin14-Vs in Physcomitrella patens
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Catalytic and Electrocatalytic Pathways in Fuel Cells