| Preface | |
| Modelling of Transmembrane [alpha]-Helix Bundles | p. 1 |
| Binding Sites of Acetylcholine in the Aromatic Gorge Leading to the Active Site of Acetylcholinesterase | p. 11 |
| Binding of Cations and Protons in the Active Site of Acetylcholinesterase | p. 25 |
| Structure Modeling of the Acetylcholine Receptor Channel and Related Ligand Gated Channels | p. 39 |
| Simulation of a Fluid Phase Lipid Bilayer Membrane: Incorporation of the Surface Tension into System Boundary Conditions | p. 59 |
| Protein Dynamics: From the Native to the Unfolded State and Back Again | p. 69 |
| Essential Degrees of Freedom of Proteins | p. 85 |
| De Novo Simulations of the Folding of GCN4 and Its Mutants | p. 95 |
| A Model of HIV-I Reverse Transcriptase: Possible Mechanisms for AZT Resistance | p. 99 |
| Fold Recognition | p. 107 |
| Modelling the Interactions of Protein Side-Chains | p. 119 |
| Dynamic Domains: A Simple Method of Analysing Structural Movements in Proteins | p. 137 |
| Applications of Empirical Amino Acid Potential Functions | p. 151 |
| Molecular Dynamics Study of the Dissociation of an Antigen-Antibody Complex in Solution | p. 167 |
| Calculation of Atom-Centered Partial Charges for Heme | p. 181 |
| Molecular Dynamics Simulations of Phenylimidazole Inhibitor Complexes of Cytochrome P450[subscript cam] | p. 189 |
| The Effect of Hydrostatic Pressure on Protein Crystals Investigated by Molecular Simulation | p. 203 |
| Twists and Turns in DNA: Predicting Base Sequence Effects on the Conformation of the Double Helix | p. 217 |
| Rotational Motions of Bases in DNA | p. 231 |
| MOIL-View - a Program for Visualization of Structure and Dynamics of Biomolecules and STO - A Program for Computing Stochastic Paths | p. 241 |
| Rational Design of Switched Triple Helix-Forming Oligonucleotides: Extension of Sequences for Triple Helix Formation | p. 267 |
| Construction of a DNA Four-Way Junction: Design and NMR Spectroscopy | p. 289 |
| On the Role of Single-Stranded Adenines in RNA-RNA Recognition | p. 305 |
| A Computer Simulation Study of the Relation between Lipid and Probe Behaviour in Bilayer Systems | p. 315 |
| Molecular Modeling Studies on the Ribosome | p. 333 |
| The Molecular Mechanics Program DUPLEX: Computing Structures of Carcinogen Modified DNA by Surveying the Potential Energy Surface | p. 339 |
| Simulations of Molecular Mechanisms in Radiation Damage to DNA | p. 349 |
| Molecular Similarity and Dissimilarity | p. 365 |
| Biomolecules at Phase Boundaries | p. 371 |
| Continuum-Model Studies of Redox Reactions, Complex Formation, and Electron Transfer: the Paradigm of Cytochrome c and Cytochrome c Peroxidase | p. 381 |
| The Relationship between Physical Property and Function of Highly Activated Mutants of Thermolysin | p. 399 |
| Molecular Dynamics Simulations of DNA and a Protein-DNA Complex Including Solvent | p. 409 |
| Practical Tools for Molecular Modeling of Complex Carbohydrates and Their Interactions with Proteins | p. 425 |
| 3-D Structure of Acetylcholinesterase and Its Complexes with Anticholinesterase Agents | p. 455 |
| Sequence Markers of Segmented Protein Structure | p. 461 |
| Hidden Segmentation of Protein Sequences: Structural Connection with DNA | p. 473 |
| Table of Contents provided by Blackwell. All Rights Reserved. |
