Manual Proteins: Energy, Heat and Signal Flow (Computation in Chemistry)

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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. 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.

Download Proteins Energy Heat And Signal Flow Computation In Chemistry

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.

Nguyen, Peter Hamm, and Gerhard Stock.

Wales, Joanne M. Carr, Mey Khalili, Vanessa K. Tobias, Neelanjana Sengupta, and Mounir Tarek. David M.

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Anisotropic energy flow and allosteric ligand binding in albumin

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