Proteins: Energy, Heat And Signal Flow (computation In Chemistry)
by David M. Leitner /
2009 / English / PDF
12.7 MB Download
Computational modeling can provide a wealth of insight into how
energy flow in proteins mediates protein function. Computational
methods can also address fundamental questions related to
molecular signaling and energy flow in proteins.
Computational modeling can provide a wealth of insight into how
energy flow in proteins mediates protein function. Computational
methods can also address fundamental questions related to
molecular signaling and energy flow in proteins.Proteins: Energy, Heat and Signal Flow
Proteins: Energy, Heat and Signal Flow presents
state-of-the-art computational strategies for studying energy
redistribution, signaling, and heat transport in proteins and
other molecular machines.
presents
state-of-the-art computational strategies for studying energy
redistribution, signaling, and heat transport in proteins and
other molecular machines.
The first of four sections of the book address the transport of
energy in molecular motors, which function through a
combination of chemically driven large-scale conformational
changes and charge transport. Focusing on vibrational energy flow
in proteins and nanostructures, the next two sections discuss
approaches based on molecular dynamics simulations and harmonic
analysis. By exploring the flow of free energy in proteins, the
last section examines the conformational changes involved in
allosteric transitions and the role of coupled protein–solvent
dynamics in conformational changes. It also presents
computational approaches developed to locate pathways between
protein structures.
The first of four sections of the book address the transport of
energy in molecular motors, which function through a
combination of chemically driven large-scale conformational
changes and charge transport. Focusing on vibrational energy flow
in proteins and nanostructures, the next two sections discuss
approaches based on molecular dynamics simulations and harmonic
analysis. By exploring the flow of free energy in proteins, the
last section examines the conformational changes involved in
allosteric transitions and the role of coupled protein–solvent
dynamics in conformational changes. It also presents
computational approaches developed to locate pathways between
protein structures.
The integrated presentation of this comprehensive, up-to-date
volume emphasizes the interrelations between disparate
computational approaches that have contributed to our
understanding of energy flow in proteins and its role in protein
function. By defining the forefront of research in this area, the
book delineates the current challenges and opportunities in
developing novel methods and applications for the evolving study
of energy flow in molecular machines and nanomaterials.
The integrated presentation of this comprehensive, up-to-date
volume emphasizes the interrelations between disparate
computational approaches that have contributed to our
understanding of energy flow in proteins and its role in protein
function. By defining the forefront of research in this area, the
book delineates the current challenges and opportunities in
developing novel methods and applications for the evolving study
of energy flow in molecular machines and nanomaterials.