دانلود کتاب Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches

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Front Matter....Pages i-vii
Predicting Protein Tertiary Structure using a Global Optimization Algorithm with Smoothing....Pages 1-18
Methodology for Elucidating the Folding Dynamics of Peptides : Met-enkephalin Case Study....Pages 19-46
Energy Landscape Projections of Molecular Potential Functions....Pages 47-55
Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Two Algorithms....Pages 57-71
Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical Algorithm....Pages 73-90
Thermodynamics of Protein Folding — The Generalized-Ensemble Approach....Pages 91-105
An approach to detect the dominant folds of proteinlike heteropolymers from the statistics of a homopolymeric chain....Pages 107-129
Gene Sequences are Locally Optimized for Global mRNA Folding....Pages 131-140
Structure Calculations of Symmetric Dimers using Molecular Dynamics/Simulated Annealing and NMR Restraints: The Case of the RIIα Subunit of Protein Kinase A....Pages 141-156
Structure Prediction of Binding Sites of MHC Class II Molecules based on the Crystal of HLA-DRB1 and Global Optimization....Pages 157-189
A Coupled Scanning and Optimization Scheme for Analyzing Molecular Interactions....Pages 191-207
Improved Evolutionary Hybrids for Flexible Ligand Docking in AutoDock....Pages 209-229
Electrostatic Optimization in Ligand Complementarity and Design....Pages 231-242
Exploring potential solvation sites of proteins by multistart local minimization....Pages 243-261
On relative position of two biopolymer molecules minimizing the weighted sum of interatomic distances squared....Pages 263-266
Visualization of Chemical Databases Using the Singular Value Decomposition and Truncated-Newton Minimization....Pages 267-286
Optimization of Carbon and Silicon Cluster Geometry for Tersoff Potential using Differential Evolution....Pages 287-300
D.C. Programming Approach for Large-Scale Molecular Optimization via the General Distance Geometry Problem....Pages 301-339
Back Matter....Pages 341-342