Elastic Properties of Polymer Networks Ralf EveraersKurt Kremer Proceedings 27 September 1996 Pages: 293 - 299
MD — Simulation of Diffusion of Methane in Zeolites of Type LTA Siegfried FritzscheMartin GaubGerd Hofmann Proceedings 27 September 1996 Pages: 286 - 292
NpH-MD-Simulations of the Elastic Moduli of Cellulose II at Room Temperatue Johannes GansterJohn Blackwell Proceedings 27 September 1996 Pages: 278 - 285
Sedimentation of Clusters of Spheres Gerald Reinhard KnellerKonrad Hinsen ORIGINAL PAPER 04 September 1996 Pages: 239 - 250
Sedimentation of Clusters of Spheres Konrad HinsenGerald Reinhard Kneller ORIGINAL PAPER 04 September 1996 Pages: 227 - 238
Ab Initio and Molecular Mechanics Calculations of Various Substituted Ureas - Rotational Barriers and a New Parametrization for Ureas Thomas Strassner ORIGINAL PAPER 03 September 1996 Pages: 217 - 226
Characterization of a Novel Reverse-orientation Model for a Peptide/MHC Complex Putatively Associated with Type I Diabetes Mellitus Carol DeWeeseWilliam W. KwokTerry P. Lybrand ORIGINAL PAPER 02 September 1996 Pages: 205 - 216
Proceedings of 10th Molecular Modelling Workshop Darmstadt, Germany, May 14 - 15, 1996 Preface and Abstracts Timothy Clark Preface and Abstracts Pages: 251 - 277
PM3 and AM1 Study on β-N-acetyl-muramic Acid and 3 Murein Related Derivatives Peter KellerHans Bradaczek ORIGINAL PAPER 30 August 1996 Pages: 190 - 204
Modeling of Platinum Clusters in H-Mordenite Maria E. GrilloMaria M. Ramirez de Agudelo ORIGINAL PAPER 16 August 1996 Pages: 183 - 189
Solvation Effects on the Conformational Behaviour of Gellan and Calcium Ion Binding to Gellan Double Helices Vivienne L. LarwoodBrendan J. HowlinGraham A. Webb ORIGINAL PAPER Pages: 175 - 182
Using Molecular Dynamics to Predict Factors Affecting Binding Strength and Magnetic Relaxivity of MRI Contrast Agents Yen T. TanRichard S. JudsonGang Wu ORIGINAL PAPER Pages: 160 - 174
Substrate Specifity of Chymotrypsin. Study of Induced Strain by Molecular Mechanics Bernd KalliesRolf Mitzner ORIGINAL PAPER Pages: 149 - 159
Molecular Parameterisation and the Theoretical Calculation of Electrode Potentials David R. LowisW. Graham Richards ORIGINAL PAPER 28 May 1996 Pages: 136 - 148
Davydov Soliton Dynamics in Proteins: II. The General Case Wolfgang Förner ORIGINAL PAPER 10 May 1996 Pages: 103 - 135
Davydov Soliton Dynamics in Proteins: I. Initial States and Exactly Solvable Special Cases Wolfgang Förner ORIGINAL PAPER 10 May 1996 Pages: 70 - 102
Conformational Behavior and Flexibility of Terminally Blocked Cysteine and Cystine Zdenek KrízJaroslav KocaPer H. J. Carlsen ORIGINAL PAPER 22 April 1996 Pages: 51 - 61
A Semiempirical Transition State Structure for the First Step in the Alkaline Hydrolysis of Cocaine. Comparison between the Transition State Structure, the Phosphonate Monoester Transition State Analog, and a Newly Designed Thiophosphonate Transition State Analog Edward C. ShererGordon M. TurnerGeorge C. Shields ORIGINAL PAPER 19 April 1996 Pages: 62 - 69
The Erythrocyte/Brain Glucose Transporter (GLUT1) May Adopt a Two–Channel Transmembrane α/β Structure. Philippe DucarmeMehdi RahmanRobert Brasseur ORIGINAL PAPER 29 March 1996 Pages: 27 - 45
Theoretical Methods for the Representation of Solvent Modesto OrozcoCristobal AlhambraFrancisco J. Luque ORIGINAL PAPER 05 March 1996 Pages: 1 - 15
Structural Evaluation of Distant Homology. A 3-D Model of the Ligand Binding Domain of the Nicotinic Acetylcholine Receptor Based on Acetylcholinesterase: Consistency with Experimental Data Ajita A. BhatE. Will Taylor ORIGINAL PAPER Pages: 46 - 50
Computer Aided Molecular Design — Applications in Agrochemicals, Materials, and Pharmaceuticals Book review Pages: 26 - 26
Similarity Study on Peptide γ-turn Conformation Mimetics Ibon AlkortaMaria Luisa SuarezM. Teresa García-López ORIGINAL PAPER Pages: 16 - 25
Identification of Helical Packing Motifs Common to Bacteriorhodopsin and G Protein-Coupled Receptors M. Germana PaterliniThomas G. MetzgerDavid M. Ferguson ORIGINAL PAPER Pages: 70 - 77
Molecular Mechanics: The Conjugate Nitro Group Parameters in the MM2 Force Field Jean-Philippe RameauJean Devillers ORIGINAL PAPER Pages: 48 - 69
A ′Fragment Fitting Approach′ to Model Disulfide Loops by Utilizing Homologous Peptide Fragments from Unrelated Proteins of Known Structures: Application to the V3 Loop of the HIV-1 Envelope Glycoprotein gp120 Asim Kumar Debnath ORIGINAL PAPER Pages: 31 - 47
Ergoline Derivatives as a Probe for Featuring the 5-HT1A Receptor Pharmacophore Giorgio BolisAntonio PillanAlessandro Dolmella FULL PAPER Pages: 188 - 195
A Detailed Study of VESPA Electrostatic Potential-Derived Atomic Charges Bernd BeckTimothy ClarkRobert C. Glen FULL PAPER Pages: 176 - 187
A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water Iñaki TuñónMarilia Teresa C. Martins-CostaManuel F. Ruiz-López FULL PAPER Pages: 196 - 201
Comparison of a Homology Built Model of Angiogenin to its Crystal Structure Andrew D. AllenBrendan J. Howlin FULL PAPER Pages: 150 - 160
Study of the Interactions between Neurophysin II and Dipeptide Ligand by Means of Molecular Dynamics Rajmund KazmierkiewiczCezary CzaplewskiBogdan Lesyng FULL PAPER Pages: 143 - 149
AdaptivSearch: A Novel Iterative Algorithm for the Generation of n-dimensional Hypersurfaces Using an Adaptive Numerical Strategy Gerhard BringmannKlaus-Peter GuldenClemens Helf FULL PAPER Pages: 161 - 175
Molecular Dynamics of the Ha-ras Protein: Nucleotide Atom-Centred Charges within the AMBER Force Field Graham A. WorthColin EdgeW. Graham Richards FULL PAPER Pages: 123 - 142
The Ability of the Semiempirical PM3 Method to Model Proton Transfer Reactions in Symmetric Hydrogen Bonded Systems Bernd KalliesRolf Mitzner ORIGINAL PAPER Pages: 68 - 78
Conference Proceedings: 9th Molecular Modeling Workshop Tim Clark CONFERENCE PROCEEDINGS Pages: 79 - 122
Structural Factors that Distinguish Dopamine D1 and D2 Agonists Mark FroimowitzEmile M. Bellott, Jr. ORIGINAL PAPER Pages: 36 - 45
Variations of Surface Areas and Volumes in Distinct Molecular Surfaces of Biomolecules Luis F. Pacios ORIGINAL PAPER Pages: 46 - 53
On the Entropic and Hydrophobic Properties Involved in the Inhibitory Mechanism of Carboxypeptidase A by its Natural Inhibitor from Potato Baldomero OlivaCristina MarinoEnrique Querol ORIGINAL PAPER Pages: 54 - 67
A Conjugate Gradient Algorithm with a Trust Region for Molecular Geometry Optimization Josep Maria Bofill ORIGINAL PAPER Pages: 11 - 17
A Combined Semiempirical MO/Neural Net Technique for Estimating 13C Chemical Shifts Timothy ClarkGuntram RauhutAndreas Breindl ORIGINAL PAPER Pages: 22 - 35
Folding of Globular Proteins by Energy Minimization and Monte Carlo Simulations with Hydrophobic Surface Area Potentials Christian MumenthalerWerner Braun ORIGINAL PAPER Pages: 1 - 10
A PM3 Study of the Effect of Conformation on the Enthalpy of Splitting of Cyclobutane Type Pyrimidine Dimers Paul F. Heelis ORIGINAL PAPER Pages: 18 - 21
