Gathering together a number of the best experts in the world, the 27th Jerusalem Symposium was devoted to the theme of the modelling of biomolecular structures and mechanisms. As a result of recent growth in both importance and audience, the papers contained in this volume present a thorough evaluation of the status of the present knowledge in this field.
The main topics covered by this year's Symposium include nucleic acids and their interactions, proteins and their interaction, membranes and their interactions, enzymatic processes and the pharmacological and medical aspects of these subjects. Readers will benefit from the interdisciplinary approach which provides an extensive coverage of both theoretical and experimental advances.
Author(s): Pierre Tufféry, Catherine Etchebest (auth.), A. Pullman, J. Jortner, B. Pullman (eds.)
Series: The Jerusalem Symposia on Quantum Chemistry and Biochemistry 27
Edition: 1
Publisher: Springer Netherlands
Year: 1995
Language: English
Pages: 479
Tags: Biochemistry, general
Front Matter....Pages i-ix
Modelling of Transmembrane α -Helix Bundles....Pages 1-9
Binding Sites of Acetylcholine in the Aromatic Gorge Leading to the Active Site of Acetylcholinesterase....Pages 11-23
Binding of Cations and Protons in the Active Site of Acetylcholinesterase....Pages 25-37
Structure Modeling of the Acetylcholine Receptor Channel and Related Ligand Gated Channels....Pages 39-57
Simulation of a Fluid Phase Lipid Bilayer Membrane: Incorporation of the Surface Tension into System Boundary Conditions....Pages 59-67
Protein Dynamics: From the Native to the Unfolded State and Back Again....Pages 69-84
Essential Degrees of Freedom of Proteins....Pages 85-93
De Novo Simulations of the Folding of GCN4 and Its Mutants....Pages 95-98
A Model of HIV-I Reverse Transcriptase: Possible Mechanisms for AZT Resistance....Pages 99-106
Fold Recognition....Pages 107-118
Modelling the Interactions of Protein Side-Chains....Pages 119-135
Dynamic Domains: A Simple Method of Analysing Structural Movements in Proteins....Pages 137-149
Applications of Empirical Amino Acid Potential Functions....Pages 151-166
Molecular Dynamics Study of the Dissociation of an Antigen—Antibody Complex in Solution....Pages 167-180
Calculation of Atom-Centered Partial Charges for Heme....Pages 181-188
Molecular Dynamics Simulations of Phenylimidazole Inhibitor Complexes of Cytochrome P450 cam ....Pages 189-202
The Effect of Hydrostatic Pressure on Protein Crystals Investigated by Molecular Simulation....Pages 203-215
Twists and Turns in DNA: Predicting Base Sequence Effects on the Conformation of the Double Helix....Pages 217-230
Rotational Motions of Bases in DNA....Pages 231-239
MOIL-View — A Program for Visualization of Structure and Dynamics of Biomolecules and STO — A Program for Computing Stochastic Paths....Pages 241-265
Rational Design of Switched Triple Helix-Forming Oligonucleotides: Extension of Sequences for Triple Helix Formation....Pages 267-288
Construction of a DNA Four-Way Junction: Design and NMR Spectroscopy....Pages 289-304
On the Role of Single-Stranded Adenines in RNA-RNA Recognition....Pages 305-313
A Computer Simulation Study of the Relation between Lipid and Probe Behaviour in Bilayer Systems....Pages 315-331
Molecular Modeling Studies on the Ribosome....Pages 333-338
The Molecular Mechanics Program DUPLEX: Computing Structures of Carcinogen Modified DNA by Surveying the Potential Energy Surface....Pages 339-347
Simulations of Molecular Mechanisms in Radiation Damage to DNA....Pages 349-363
Molecular Similarity and Dissimilarity....Pages 365-369
Biomolecules at Phase Boundaries....Pages 371-379
Continuum-Model Studies of Redox Reactions, Complex Formation, and Electron Transfer: The Paradigm of Cytochrome c and Cytochrome c Peroxidase....Pages 381-398
The Relationship between Physical Property and Function of Highly Activated Mutants of Thermolysin....Pages 399-407
Molecular Dynamics Simulations of DNA and a Protein-DNA Complex Including Solvent....Pages 409-423
Practical Tools for Molecular Modeling of Complex Carbohydrates and Their Interactions with Proteins....Pages 425-454
3-D Structure of Acetylcholinesterase and Its Complexes with Anticholinesterase Agents....Pages 455-460
Sequence Markers of Segmented Protein Structure....Pages 461-471
Hidden Segmentation of Protein Sequences: Structural Connection with DNA....Pages 473-479
