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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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Part I: Conformational Analysis of Bioactive Molecules inSolutionPart II: Structure-Based Design of Selective Inhibitors ofCyclin-Dependent Kinase 7
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Charge Separation Dynamics between Semiconductor Nanoparticles and
Molecular Adsorbates
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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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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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Recombinant Site Specific Labeling of Proteins with IR Probes
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Quantum Mechnical Study of Molecular Processes: From Gas Phase to Nano Phase
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