Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems.

Predicting Protein Tertiary Structure using a Global Optimization Algorithm with Smoothing.- Methodology for Elucidating the Folding Dynamics of Peptides: Met-enkephalin Case Study.- Energy Landscape Projections of Molecular Potential Functions.- Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Two Algorithms.- Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical Algorithm.- Thermodynamics of Protein Folding — The Generalized-Ensemble Approach.- An approach to detect the dominant folds of proteinlike heteropolymers from the statistics of a homopolymeric chain.- Gene Sequences are Locally Optimized for Global mRNA Folding.- Structure Calculations of Symmetric Dimers using Molecular Dynamics/Simulated Annealing and NMR Restraints: The Case of the RII? Subunit of Protein Kinase A.- Structure Prediction of Binding Sites of MHC Class II Molecules based on the Crystal of HLA-DRB1 and Global Optimization.- A Coupled Scanning and Optimization Scheme for Analyzing Molecular Interactions.- Improved Evolutionary Hybrids for Flexible Ligand Docking in AutoDock.- Electrostatic Optimization in Ligand Complementarity and Design.- Exploring potential solvation sites of proteins by multistart local minimization.- On relative position of two biopolymer molecules minimizing the weighted sum of interatomic distances squared.- Visualization of Chemical Databases Using the Singular Value Decomposition and Truncated-Newton Minimization.- Optimization of Carbon and Silicon Cluster Geometry for Tersoff Potential using Differential Evolution.- D.C. Programming Approach for Large-Scale Molecular Optimization via the General Distance Geometry Problem.

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