Download e-book for iPad: Proteins: Energy, Heat and Signal Flow (Computation in by David M. Leitner, John E. Straub

By David M. Leitner, John E. Straub

ISBN-10: 1420087037

ISBN-13: 9781420087031

Computational modeling promises a wealth of perception into how strength circulate in proteins mediates protein functionality. Computational tools may also tackle primary questions on the topic of molecular signaling and effort circulate in proteins. Proteins: strength, warmth and sign movement presents cutting-edge computational suggestions for learning strength redistribution, signaling, and warmth shipping in proteins and different molecular machines.

The first of 4 sections of the e-book handle the delivery of strength in molecular cars, which function through a mixture of chemically pushed large-scale conformational adjustments and cost delivery. targeting vibrational strength stream in proteins and nanostructures, the subsequent sections talk about methods in line with molecular dynamics simulations and harmonic research. via exploring the circulate of unfastened strength in proteins, the final part examines the conformational adjustments curious about allosteric transitions and the position of coupled protein–solvent dynamics in conformational adjustments. It additionally provides computational techniques constructed to find pathways among protein structures.

The built-in presentation of this finished, up to date quantity emphasizes the interrelations among disparate computational techniques that experience contributed to our knowing of power move in proteins and its position in protein functionality. by means of defining the leading edge of analysis during this region, the ebook delineates the present demanding situations and possibilities in constructing novel tools and purposes for the evolving learn of strength circulate in molecular machines and nanomaterials.

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Proteins: Energy, Heat and Signal Flow (Computation in Chemistry) by David M. Leitner, John E. Straub

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