Computer Simulations of Protein Structures and Interactions (Lecture Notes in Chemistry, 66)

Fraga, Serafin; Parker, J.M.Robert; Pocock, Jennifer M.

ISBN 10: 3540601333 / ISBN 13: 9783540601333

Published by Springer, 1995

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Bibliographic Details

• Title: Computer Simulations of Protein Structures and Interactions (Lecture Notes in Chemistry, 66)
• Publisher: Springer
• Publication Date: 1995
• Language: English
• ISBN 10: 3540601333
• ISBN 13: 9783540601333
• Binding: Soft cover
• Condition: New

About this title

Synopsis

Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs. This work develops in a comprehensive way the theoretical formulation for the methods used in computer-assisted modeling and predictions, starting from the basic concepts and proceeding to the more sophisticated methods, such as Monte Carlo and molecular dynamics. An evaluation of the approximations inherent to the simulations will allow the reader to obtain a perspective of the possible deficiencies and difficulties and approach the task with realistic expectations. Examples from the authors laboratories, as well as from the literature provide useful information.

From the Back Cover

Lecture Notes in Chemistry Protein engineering endeavors to design new peptides and proteins or to change the structural and/or functional characteristics of existing ones for specific purposes, opening the way for the development of new drugs, vaccines, and industrial enzymes. Computer assisted simulations play an important role, as an auxiliary tool, in this task. This work develops in a comprehensive way the theoretical formulation for the methods used in computer-assisted modeling and predictions, starting from the basic concepts and proceeding to the more sophisticated methods, such as Monte Carlo and molecular dynamics. An evaluation of the approximations inherent to the simulations will allow the reader to obtain a perspective of the possible deficiencies and difficulties and approach the task with realistic expectations. Examples from the authors laboratories, as well as from the literature provide useful information.