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

Christodoulos A. Floudas

ISBN 10: 1441948260 / ISBN 13: 9781441948267

Edité par Springer, Springer, 2010

A propos de cet article

Druck auf Anfrage Neuware - Printed after ordering - 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. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations. Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking. Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.

N° de réf. du vendeur 9781441948267

Détails bibliographiques

• Titre: Optimization in Computational Chemistry and Molecular Biology : Local and Global Approaches
• Éditeur: Springer, Springer
• Date de parution: 2010
• Langue: anglais
• ISBN à 10 chiffres: 1441948260
• ISBN à 13 chiffres: 9781441948267
• Reliure: Taschenbuch
• État de l'article: Neu
• Dimensions: 235 L x 155 H x 20 P (en millimètres) 235 millimètres de largeur par 155 millimètres de hauteur par 20 millimètres de profondeur
• Poids: 540 grammes

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Synopsis

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. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations.
Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking.
Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.