Modelling of Biomolecular Structures and Mechanisms Proceedings of the Twenty-Seventh Jerusalem Symposium on Quantum Chemistry and Biochemistry Held in Jerusalem, Israel, May 23-26, 1994

Preface. Modelling of Transmembrane alpha-Helix Bundles; P. Tufféry, C. Etchebest, R. Lavery. Binding Sites of Acetylcholine in the Aromatic Gorge Leading to the Active Site of Acetylcholinesterase; A. Pullman. Binding of Cations and Protons in the Active Site of Acetylcholinesterase; S.T. Wlodek, J. Antosiewicz, J. McCammon, M.K. Gilson. Structure Modeling of the Acetylcholine Receptor Channel and Related Ligand Gated Channels; E. von Kitzing. Simulation of a Fluid Phase Lipid Bilayer Membrane: Incorporation of the Surface Tension into System Boundary Conditions; S.-W. Chiu, M. Clark, V. Balaji, S. Subramaniam, H.L. Scott, E. Jakobsson. Protein Dynamics: From the Native to the Unfolded State and Back Again; M. Karplus, A. Caflisch, A. Sali, E. Shakhnovich. Essential Degrees of Freedom of Proteins; A. Amadei, A.B.M. Linssen, B.L. de Groot, H.J.C. Berendsen. De novo Simulations of the Folding of GCN4 and its Mutants; J. Skolnick, M. Vieth, A. Kolinski, C.L. Brooks, III. A Model of HIV-I Reverse Transcriptase: Possible Mechanisms for AZT Resistance; R.F. Setlik, M. Shibata, R.L. Ornstein, R. Rein. Fold Recognition; M.J. Sippl, S. Weitckus, H. Flöckner. Modelling the Interactions of Protein Side-Chains; J.B.O. Mitchell, J.M. Thornton, S.L. Price. Dynamic Domains: a Simple Method of Analysing Structural Movements in Proteins; K. Zakrzewska. Applications of Empirical Amino Acid Potential Functions; R.L. Jernigan, L. Young, D.G. Covell, S. Miyazawa. Molecular Dynamics Study of the Dissociation of an Antigen--Antibody Complex in Solution; J. Durup, F. Alary. Calculation of Atom-Centered Partial Charges for Heme; J.I. Manchester, M.D. Paulsen, R.L. Ornstein. Molecular Dynamics Simulations of Phenylimidazole Inhibitor Complexes ofCytochrome P450cam; D.L. Harris, Y.-T. Chang, G.H. Loew. The Effect of Hydrostatic Pressure on Protein Crystals Investigated by Molecular Simulation; D.M. York, T.A. Darden, L.G. Pedersen. Twists and Turns in DNA: Predicting Base Sequence Effects on the Conformation of the Double Helix; R. Lavery. Rotational Motions of Bases in DNA; F. Briki, J. Ramstein, R. Lavery, D. Genest. MOIL-View -- a Program for Visualization of Structure and Dynamics of Biomolecules and STO -- a Program for Computing Stochastic Paths; C. Simmerling, R. Elber, J. Zhang. Rational Design of Switched Triple Helix-Forming Oligonucleotides: Extension of Sequences for Triple Helix Formation; J.-S. Sun. Construction of a DNA Four-Way Junction: Design and NMR Spectroscopy; C. Altona, J.A. Pikkemaat. On the Role of Single-Stranded Adenines in RNA-RNA Recognition; E. Westhof. A Computer Simulation Study of the Relation between Lipid and Probe Behaviour in Bilayer Systems; H. Eviatar, U.A. van der Heide, Y.K. Levine. Molecular Modeling Studies on the Ribosome; S.C. Harvey, A. Malhotra, R.K.-Z. Tan. The Molecular Mechanics Program DUPLEX: Computing Structures of Carcinogen Modified DNA by Surveying the Potential Energy Surface; B.E. Hingerty, S. Broyde. Simulations of Molecular Mechanisms in Radiation Damage to DNA; R. Osman, C.F. Wong, K. Miaskiewicz. Molecular Similarity and Dissimilarity; W.G. Richards. Biomolecules at Phase Boundaries; P. Ahlström, J. Lausmaa, P. Löfgren, H.J.C. Berendsen. Continuum-Model Studies of Redox Reactions, Complex Formation, and Electron Transfer: the Paradigm of Cytochrome c and Cytochrome c Peroxidase; H.-X. Zhou. The Relationship between Physical Property and Function of Highly Activated Mutants of