This work provides comprehensive theoretical and experimental methods for molecular modeling of bioactive systems, and includes a comprehensive review of the scope and utility of the past and present broad array of molecular modelling techniques.

Provides comprehensive theoretical and experimental methods for molecular modelling of bioactive systems. Includes a comprehensive review of the scope and utility of the past and present broad array of molecular modelling techniques. Provides detailed experimental studies to be used in conjunction with molecular modelling to develop structure-function relationships. Examines the forces involved in protein structure and the interaction of these forces with cosolutes biological and industrial interest.

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