Molecular Modeling

Molecular Modeling: From Virtual Tools to Real Problems ; Reliability of X-Ray Crystallographic Structures ; Determining the Solution Conformation of Receptor-Bound Ligands by NMR: A Transferred Nuclear Overhauser Effect Study of the Peptidyl Prolyl Cis-Trans Isomerase Cyclophilin and a Model Substrate ; Modeling Biologically Relevant Peptides Using Circular Dichroism with Synchrotron Radiation, and High Temperature Molecular Dynamics ; Protein Secondary Structure Determination Using Vibrational Circular Dichroism ; Global Secondary Structure Analysis of Proteins in Solution by Resolution Enhanced Deconvolution Fourier Transform Infrared Spectroscopy in Water ; Molecular Modeling of Apolipoprotein A-I Using a Template Derived from the Crystal Structure of Apolipophorin III ; Testing an FTIR-Consistent Model of the Soluble Domain of Human Tissue Factor ; Computer-Generated Working Models of *a-Crystallin Subunits and Their Complex ; The Three-Dimension Energy-Minimized Model of the Human Type II "Smith" Collagen Microfibril ; Calculations of Association Free Energies: Separation of Electrostatic and Hydrophobic Contributions ; Structure-Function Analysis of Amino Acid Substitution in Proteins ; Comparison of Spiral Structures in Wheat High-Molecular-Weight Glutenin Subunits and Elastin by Molecular Modeling ; Modeling Biological Pathways: A Discrete Event Systems Approach ; Inhibitor Induced Structural Changes in Serine Proteases Monitored by FTIR Spectroscopy ; Spectroscopy and Molecular Modeling of Electrochemically Active Films of Myoglobin and Didodecyldimethylammonium Bromide ; Molecular Dynamics and NMR Studies of Concentrated Electrolytes and Dipoles in Water ; Molecular Dynamics and Multinuclear Magnetic Resonance Studies of Zwitterions and Proteins in Concentrated Solutions ; NMR and Molecular Modeling Evidence for the Entrapment of Water in a Simple Carbohydrate Complex ; Structure-Serologic Relationships of the Immunodominant Site of Foot-and-Mouth Disease Virus ; A Predicted Energy Minimized *asl-Casein Working Model ; Three-Dimensional Molecular Modeling of Bovine Caseins: An Energy Minimized Submicelle Structure ; Molecular Dynamics of Salt Interactions with Peptides, Fibrous Proteins and Casein ; Application of a Probabilistic Approach to the NMR-Based Determination of Accurate Local Conformation and 3D-Structure of Proteins in Solution ; Structural Elements Involved in the Allosteric Switch in Mammalian Pyruvate Kinase ; Representing Biochemistry for Modeling Organisms