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
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
Sedimentation of Clusters of Spheres Konrad HinsenGerald Reinhard Kneller ORIGINAL PAPER 04 September 1996 Pages: 227 - 238
Sedimentation of Clusters of Spheres Gerald Reinhard KnellerKonrad Hinsen ORIGINAL PAPER 04 September 1996 Pages: 239 - 250
Proceedings of 10th Molecular Modelling Workshop Darmstadt, Germany, May 14 - 15, 1996 Preface and Abstracts Timothy Clark Preface and Abstracts Pages: 251 - 277
NpH-MD-Simulations of the Elastic Moduli of Cellulose II at Room Temperatue Johannes GansterJohn Blackwell Proceedings 27 September 1996 Pages: 278 - 285
MD — Simulation of Diffusion of Methane in Zeolites of Type LTA Siegfried FritzscheMartin GaubGerd Hofmann Proceedings 27 September 1996 Pages: 286 - 292
Elastic Properties of Polymer Networks Ralf EveraersKurt Kremer Proceedings 27 September 1996 Pages: 293 - 299
The Photodissociation/Recombination Dynamics of I2 in an Ar Matrix: Wave Packet Propagation in a Mixed Quantum-Classical Picture Udo SchmittJürgen Brickmann Proceedings 27 September 1996 Pages: 300 - 303
The Genetic Algorithm Applied as a Modelling Tool to Predict the Fold of Small Proteins with Different Topologies Thomas Dandekar Proceedings 27 September 1996 Pages: 304 - 306
Peptides and Peptoids - A Systematic Structure Comparison Kerstin MöhleHans-Jörg Hofmann Proceedings 27 September 1996 Pages: 307 - 311
Molecular Dynamics Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment Anne von FircksStefan NaumannStephan König Proceedings 27 September 1996 Pages: 312 - 318
Gibbs-Ensemble Molecular Dynamics: A New Method for Simulations Involving Particle Exchange Reinhard HentschkeTim BastMichael Kotelyanskii Proceedings 27 September 1996 Pages: 319 - 326
Interaction Energies and Dynamics of Alkali and Alkaline-Earth Cations in Quadruplex-DNA-Structures Jutta TöhlWolfgang Eimer Proceedings 27 September 1996 Pages: 327 - 329
Molecular Dynamics Simulation of a Micellar System Tim BastReinhard Hentschke Proceedings 27 September 1996 Pages: 330 - 340
Reparametrisation of Force Constants in MOPAC 6.0/7.0 for Better Description of the Activation Barrier of Peptide Bond Rotations Olaf LudwigHeiko SchinkeWolfgang Brandt Proceedings 27 September 1996 Pages: 341 - 350
Role of Aromatic Amino Acids in Carbohydrate Binding. Laser Photo CIDNP(Chemically Induced Dynamic Nuclear Polarisation) and Molecular Modeling Study of Hevein-domain Containing Lectins Hans-Christian SiebertClaus-Wilhelm von der LiethHans-Joachim Gabius Proceedings 27 September 1996 Pages: 351 - 353
Theoretical Study of the Water Exchange Reaction on Divalent Zinc Ion using Density Functional Theory Michael HartmannTimothy ClarkRudi van Eldik Proceedings 27 September 1996 Pages: 354 - 357
Investigation of the Uncatalyzed Hydration of CO2 and First Approximations to the Active Site of Carbonic Anhydrase - A Combined Ab initio and DFT Study - Michael HartmannTimothy ClarkRudi van Eldik Proceedings 27 September 1996 Pages: 358 - 361
Computer-Aided Receptor Modelling of Human Opioid Receptors: (Mu, Kappa & Delta) Bahram Habibi-NezhadMahindokht HanifianMassoud Mahmoudian Proceedings 27 September 1996 Pages: 362 - 369
VRML in Cancer Research Local Molecular Properties of the p53 Tumor Suppressor Protein-DNA Interface Gerd MoeckelMatthias KeilJürgen Brickmann Proceedings 27 September 1996 Pages: 370 - 372
Ab initio Calculation of the Conformations and Vibrational Spectra of 2-Phenylbutane Christian BorsdorfThomas Dorfmüller Proceedings 27 September 1996 Pages: 373 - 375
The PIMM Force Field - Recent Developments Martin KroekerHans Jörg Lindner Proceedings 27 September 1996 Pages: 376 - 378
Quadrupole Relaxation of the 7Li+ Ion in Dilute Aqueous Solution Determined by Experimental and Theoretical Methods Ralf BaumertRalf LudwigAlfons Geiger Proceedings 27 September 1996 Pages: 379 - 382
Exploring the Conformational Behavior of Rigid Porphyrin-Quinone Systems by High-Temperature MD Simulations and Temperature-Dependent 1H-NMR Experiments Martin FrankKatrin PerausHeinz A. Staab Proceedings 27 September 1996 Pages: 383 - 385
Molecular Modeling Studies on Novel Open-chain and Cyclic Thia Compounds and their Ag(I) and Hg(II) Complexes Torsten KruegerKarsten GloeEdwin Weber Proceedings 27 September 1996 Pages: 386 - 389