Normal Mode Analysis: Theory and Applications to Biological and Chemical Systems, 1st Edition (e-Book) book cover

Normal Mode Analysis

Theory and Applications to Biological and Chemical Systems, 1st Edition

Edited by Qiang Cui, Ivet Bahar

Chapman and Hall/CRC

432 pages

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pub: 2005-12-12
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Description

Rapid developments in experimental techniques continue to push back the limits in the resolution, size, and complexity of the chemical and biological systems that can be investigated. This challenges the theoretical community to develop innovative methods for better interpreting experimental results. Normal Mode Analysis (NMA) is one such technique

Table of Contents

Normal mode theory and harmonic potential approximations. All-atom normal mode calculations of large molecular systems using iterative methods. The Gaussian Network Model: Theory and Applications. Normal mode analysis of macromolecules: from enzyme activity site to molecular machines. Functional information from slow mode shapes. Unveiling Molecular Mechanisms of Biological Functions in Large Macromolecular Assemblies using Elastic Network Normal Mode Analysis. Applications of Normal Mode Analysis in Structural Refinement of Supramolecular Complexes. Normal Mode Analysis in Studying Protein Motions with X-ray Crystallography. Optimizing the Parameters of the Gaussian Network Model for ATP-Binding Proteins. Effects of Sequence, Cyclization, and Superhelical Stress on the Internet Motions of DNA. Symmetry in Normal Mode Analysis of Icosahedral Viruses. Extension of the normal mode concept: Principal component analysis, jumping-among-minimum model and their applications to experimental data analysis. Imaginary-Frequency, Unstable Instantaneous Normal Modes, the Potential Energy Landscape, and Diffusion in Liquids. Driven Molecular Dynamics for Normal Modes of Biomolecules without the Hessian, and Beyond. Probing vibrational energy relaxation in proteins using normal modes. Anharminic decay of vibrational state in proteins. Collective coordinate aproaches to extended conformational sampling. Using Collective coordinates to guide conformational sampling in atomic simulations.

Subject Categories

BISAC Subject Codes/Headings:
MAT000000
MATHEMATICS / General
MAT003000
MATHEMATICS / Applied
MED008000
MEDICAL / Biochemistry
SCI013050
SCIENCE / Chemistry / Physical & Theoretical