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Journal of Statistical Physics, Vol. 58, Nos. 1/2, 1990 Book Review: Proteins: A Theoretical Perspective of
 

Summary: Journal of Statistical Physics, Vol. 58, Nos. 1/2, 1990
Book Review: Proteins: A Theoretical Perspective of
Dynamics, Structure, and Thermodynamics
Proteins: A Theoretical Perspective of Dynamics, Structure, and Thermo-
dynamics. C.L. Brooks III, M. Karplus, and B. M. Pettitt.
This treatise, published as Vol. LXXI of the Advances in Chemical Physics
series, is an enlightening introduction to the new and rapidly developing
field of molecular dynamics of proteins. Written in clear language, with
relatively few equations and a comprehensive reference list, it discusses
methodology and numerical procedures applied, elaborates on the major
results obtained to date, and concludes with a comparison between
molecular dynamics calculations and experiment. In the methodology
section, the authors cover the semiempirical potential energy functions and
the variety of dynamical simulation techniques (classical and stochastic
trajectories, normal mode analysis, and Monte Carlo energy minimization)
as they apply to proteins. The authors are careful to point out both merits
and possible pitfalls in the various methods. Results obtained in several
groups are logically organized in a hierarchial fashion: From small motions
of side chains, through larger backbone motions, to large motions of rigid
structures, e.g., double helices and domains. Hence the incredibly complex

  

Source: Agmon, Noam - Institute of Chemistry, Hebrew University of Jerusalem

 

Collections: Chemistry