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Computer Simulations of Protein Structures and Interactions (Paperback)
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Computer Simulations of Protein Structures and Interactions (Paperback)
Series: Lecture Notes in Chemistry, 66
Expected to ship within 10 - 15 working days
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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.
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