Title | Optimization in Computational Chemistry and Molecular Biology [electronic resource] : Local and Global Approaches / edited by C. A. Floudas, P. M. Pardalos |
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Imprint | Boston, MA : Springer US : Imprint: Springer, 2000 |
Connect to | http://dx.doi.org/10.1007/978-1-4757-3218-4 |
Descript | VII, 342 p. online resource |
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 โ 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