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Author:   Ke-li Han ,  Xin Zhang ,  Ming-jun Yang
Publisher:   Springer International Publishing AG
Imprint:   Springer International Publishing AG
Edition:   Softcover reprint of the original 1st ed. 2014
Volume:   805
Weight:   8.399kg
ISBN:  

9783319353890

ISBN 10:   3319353896
Pages:   488
Publication Date:   27 August 2016
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand  
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Table of Contents

Protein folding simulations by generalized-ensemble algorithms.- Application of Markov State Models to Simulate Long Timescale Dynamics of Biological Macromolecules.- Understanding protein dynamics using conformational ensembles.- Generative Models of Conformational Dynamics.- Generalized spring tensor models for protein fluctuation dynamics and conformation changes.- The Joys and Perils of Flexible Fitting.- Coarse-Grained Models of the Proteins Backbone Conformational Dynamics.- Simulating protein folding in different environmental conditions.- Simulating the peptide folding kinetic related spectra based on the Markov State Model.- The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from Theory and Experiment.- Exploiting protein intrinsic flexibility in drug design.- NMR and computational methods in the structural and dynamic characterization of ligand-receptor interactions.- Molecular Dynamics Simulation of Membrane Proteins.- Free-energy landscape of intrinsically disordered proteins investigated by all-atom multicanonical molecular dynamics.- Coordination and control inside simple biomolecular machines.- Multi-state Targeting Machinery Govern the Fidelity and Efficiency of Protein Localization.- Molecular dynamics simulations of F1-ATPase.- Chemosensorial G-proteins-coupled receptors: a perspective from computational methods.

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