Biomolecular Structure and Dynamics

✍ Scribed by J. Janin (auth.), Gérard Vergoten, Theophile Theophanides (eds.)

Publisher: Springer Netherlands
Year: 1997
Tongue: English
Leaves: 326
Series: NATO ASI Series 342
Edition: 1
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail.
The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.

✦ Table of Contents

Front Matter....Pages i-ix
Front Matter....Pages 1-1
The Physical Chemistry of Specific Recognition....Pages 3-19
Approaches to Protein-Ligand Binding from Computer Simulations....Pages 21-34
Dynamics of Biomolecules : Simulation Versus X-Ray and Far-Infrared Experiments....Pages 35-46
Semiempirical and Ab Initio Modeling of Chemical Processes....Pages 47-77
Professional Gambling....Pages 79-119
Molecular Modeling of Globular Proteins : Strategy 1D ⇒ 3D: Secondary Structures and Epitopes....Pages 121-150
Physicochemical Properties in Vacuo and in Solution of Some Molecules with Biological Significance from Density Functional Computations....Pages 151-178
GMMX Conformation Searching and Prediction of NMR Proton-Proton Coupling Constants....Pages 179-186
Front Matter....Pages 187-187
Biomolecular Structure and Dynamics: Recent Experimental and Theoretical Advances....Pages 189-209
What Drives Association of α-Helical Peptides in Membrane Domains of Proteins? Role of Hydrophobic Interactions....Pages 211-228
Infrared Spectroscopic Studies of Membrane Lipids....Pages 229-242
Time-Resolved Infrared Spectroscopy of Biomolecules....Pages 243-261
UV Resonance Raman Determination of α-Helix Melting During the Acid Denaturation of Myoglobin....Pages 263-270
Front Matter....Pages 271-271
The Use of Fourier Transform Infrared (FT-IR) Spectroscopy in the Structural Analysis of Nucleic Acids....Pages 273-284
Geometries and Stabilities of G·GC, T·AT, A·AT an C·GC Nucleic Acid Base Triplets....Pages 285-297
Vibrational Circular Dichroism of Nucleic Acids....Pages 299-317
Back Matter....Pages 319-327

✦ Subjects

Biophysics and Biological Physics;Computer Applications in Chemistry;Physical Chemistry

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