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- Sep 8, 2015
Molecular Descriptors Influencing Melting Point and Their Role in Classification of Solid Drugs
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Generation of Ligand Conformations in Continuum Solvent Consistent with Protein Active Site Topology: Application to Thromb
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Three-Dimensional Structure and Dynamics of Wine Tannin-Saliva Protein Complexes. A Multitechnique Approach
Simon, et al. Biochemistry, 2003, 42, 10385-10395- Publication
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Structure and Dynamics of the Lantibiotic Mutacin 1140
Smith, et al. Biochemistry, 2003, 42, 10372-10384- Publication
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Biological and Conformational Study of Beta-Substituted Prolines in MT-II Template: Steric Effects Leading to Human MC5 Receptor Selectivity
Cai, et al. J. Peptide Res., 2004, 63, 116-131- Publication
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Fully Flexible Low-Mode Docking: Application to Induced Fit in HIV Integrase
Keseru, et al. J. Am. Chem. Soc., 2001, 123, 12708-12709- Publication
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Hessian-Free Low-Mode Conformational Search for Large-Scale Protein Loop Optimization: Application to c-jun N-Terminal Kinase JNK3
Kolossvary, et al. J. Comp. Chem., 2001, 22, 21-30- Publication
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Novel Agouti-Related-Protein-Based Melanocortin-1 Receptor Antagonist
Thirumoorthy, et al. J. Med. Chem., 2001, 44, 4114-4124- Publication
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A Comparison of Methods for Pharmacophore Generation with the Catalyst Software and their Use for 3D-QSAR: Application to a Set of 4-aminopyridine Thrombin Inhibitors
Greenidge, et al. Mini Rev. Med. Chem., 2001, 1, 79-87- Publication
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Improved Treatment of Cyclic Beta-Amino Acids and Successful Prediction of Beta-Peptide Secondary Structure using a Modified Force Field: AMBER*C
Christianson, et al. J. Comput. Chem., 2000- Publication
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A Self-Assembled Cylindrical Capsule: New Supramolecular Phenomena Through Encapsulation
Korner, et al. Chem. – Eur. J., 2000, 6, 187-195- Publication
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Stereoselective Deuterium Labeling of proR’-protons in the NMR Structure Determination of a Helix-Turn-Helix Turn Peptidomimetic
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