Computational Structural Biology

Methods and Applications

By: Manuel C Peitsch (Editor), Torsten Schwede (Editor)

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Hardcover | 6 May 2008

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Hardcover
792 Pages

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24.13 x 15.88 x 3.81

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Computational structural biology has made tremendous progress over the last two decades, and this book provides a recent and broad overview of such computational methods in structural biology. It covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology. In addition to reviewing the current state of computational structural biology, each chapter ends with a brief, visionary discussion on the future outlook, whereby the main challenges for the coming years are elucidated. Written by an international panel of expert contributors, this book can serve as a reference manual for students and practitioners alike.

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Non-Fiction Science Biology, Life Sciences Biochemistry Medicine Other Branches of Medicine Pharmacology Molecular Biology Science in General Developmental Biology Pre-Clinical Medicine & Basic Sciences Engineering & Technology

Biochemical Engineering Biotechnology Booktopia Publisher Services World Scientific Publishing Life Sciences in General

Preface	p. v
Structure Prediction and Assessment Methods	p. 1
Protein Structure Modeling	p. 3
Protein Fold Recognition and Threading	p. 37
Scoring Functions for Protein Structure Prediction	p. 61
Assessment of Protein Structure Predictions	p. 89
The Biological Applications of Protein Models	p. 111
From Structure to Function to Design	p. 129
Evolution of Protein Folds	p. 131
Classification of Protein Structures	p. 153
Methods to Characterize the Structure of Enzyme Binding Sites	p. 189
Atomistic Simulations of Reactions and Transition States	p. 223
Functional Motions in Biomolecules: Insights from Computational Studies at Multiple Scales	p. 253
Protein-Protein Interactions and Aggregation Processes	p. 299
Modeling and Simulation of Ion Channels	p. 325
Milestones in Molecular Dynamics Simulations of RNA Systems	p. 363
Computational Protein Design	p. 401
Prediction and Identification of B Cell Epitopes Using Protein Sequence and Structure Information	p. 425
Computational Antibody Engineering	p. 445
Drug Discovery and Pharmacology	p. 467
Small Molecule Docking	p. 469
Structure-based Pharmacophores and Screening	p. 501
Molecular Dynamics-based Free Energy Simulations	p. 513
Structure-based Computational Pharmacology and Toxicology	p. 549
Structure-based Computational Approaches to Drug Metabolism	p. 573
New Frontiers in Experimental Methods	p. 599
New Frontiers in X-ray Crystallography	p. 601
New Frontiers in High-Resolution Electron Microscopy	p. 623
New Frontiers in Characterizing Structure and Dynamics by NMR	p. 655
Selected Topics	p. 681
Docking for Neglected Diseases as Community Efforts	p. 683
Protein Structure Databases	p. 705
Molecular Graphics in Structural Biology	p. 729
Index	p. 771
Table of Contents provided by Ingram. All Rights Reserved.

Computational Structural Biology

Methods and Applications

At a Glance

Hardcover

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