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Part I. Design of a novel class of reversible non-covalent small
molecule inhibitors for human Granzyme B (hGrB)
Part II. Curcumin and mimics as proteasome inhibitors
Part III. Design of novel coactivator binding inhibitors (CBIs)
for the estrogen receptor α : break the 1µM barrier
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Line tension assisted membrane permeation at the transition temperature in mixed phase lipid bilayers
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Theoretical Studies of the Vibrational Spectra and Relaxation Dynamics of Ice and Water
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Potential Energy Surfaces and the Applications to Reaction Dynamics
and Molecular Vibrations
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Heterogeneity in fast-folding beta proteins
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Interfacial Electron Transfer Dynamics from Single Molecules and
Quantum Dots Studied by Single-Molecule Fluorescence
Spectroscopy
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Elasticity and Structure of Self-Assembled Systems with Defects and
Inclusions
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Single- and Double-Component Atomistic Models of
Phosphatidylcholine Lipid Bilayers in the Gel and Liquid
Crystalline Phases
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Computational Studies on the Anharmonic Dynamics of Molecular Clusters
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Single Quantum Dot Electron Transfer Dynamics
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Gas Phase Molecular Spectroscopy: Electronic Spectroscopy of
Combustion Intermediates, Chlorine Azide Kinetics, and
Rovibrational Energy Transfer in Acetylene
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Monte Carlo simulation and theoretical analysis of self-assembled semiflexible equilibrium polymers
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A Journey towards the Construction and Operation of a Photoelectron Velocity-Map Imaging Spectrometer
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Computational Studies of Ligand Protein Interactions Part I: TheT-Taxol Conformation Part II: Elucidating Interdependent BindingSites on Tubulin
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Electronic and Photoionization Spectroscopy of Heavy Metal-Containing Diatomic Molecules
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Validation of Receptor-Based Drug Design and Applications in the
Study of IKKs, Truncated Taxane and LRH-1
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Theoretical Studies of Unusual Molecular Vibrational
Dynamics
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Interfacial Electron Transfer Dynamics between Organic Molecular
Adsorbates and Semiconductor Nanoparticles
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Use of Receptor-Based Drug Design and Applications in the Study
of finding antagonists for MD-2/TLR4, GLP and CXCR4
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Ab initio Molecular Potential Energy Surface Constructionand Molecular Dynamics Simulation for Small Molecules
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Molecular simulations of lipid systems: Edge stability and structure in pure and mixed bilayers
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Dynamics Calculations of Several Atmospheric Reactions on Global
Potential Energy Surfaces
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Part I: Structure and Function in the NMDA Ligand Binding DomainPart II: Comparison of Paclitaxel Analogs through MolecularDynamics Simulation; Solution Conformations of Cyclic Peptides
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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Reaction Dynamics and Vibrational Studies of Atmospheric Species on Potential Energy Surfaces
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Simulations of Lipid Sorting Effects near Transmembrane
Peptide
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Data-Driven Engineering of Therapeutic Enzymes
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Development of Microfluidic Mixing Techniques to study Enzymatic Reactions
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