Molecular Modelling of Six-Ring Agarose Chains: Effects of Explicit and Implicit Solvent Nicholas M. W. HaggettRainer A. HoffmannGraham A. Webb ORIGINAL PAPER 06 August 1997 Pages: 301 - 310
Improving Protein Structure Prediction by New Strategies: Experimental Insights and the Genetic Algorithm Thomas Dandekar ORIGINAL PAPER 06 August 1997 Pages: 312 - 314
New Docking Algorithm Based on Fuzzy Set Theory Thomas E. ExnerJürgen Brickmann ORIGINAL PAPER 11 August 1997 Pages: 321 - 324
Homology Modelling of a Newly Discovered Thioredoxin Protein and Analysis of the Force Field and Electrostatic Properties Günter RaddatzVictoria I. BunikHans Bisswanger ORIGINAL PAPER 14 August 1997 Pages: 359 - 363
Cocon: From NMR Correlation Data to Molecular Constitutions Thomas LindelJochen JunkerMatthias Köck ORIGINAL PAPER 15 August 1997 Pages: 364 - 368
A Computer-Aided Radiopharmaceutical Drug Design Study Using Ab Initio and Molecular Mechanics Methods Robert A. KirbyAlfred Pollak ORIGINAL PAPER Pages: 294 - 300
Proceedings of 11th Molecular Modelling Workshop Darmstadt, Germany May 6 - 7, 1997 Hans J. Lindner PREFACE Pages: 311 - 311
Simulation of Surface Excess Concentrations for a Binary Hydrocarbon Mixture on Graphite Bernd FodiReinhard Hentschke ORIGINAL PAPER Pages: 315 - 320
A Combined Molecular Modelling and CIDNP Study of Similarities in the Pattern of Ligand Binding in Mammalian and Avian Galectins Emadeddin TajkhorshidHans-Christian SiebertHans-Joachim Gabius ORIGINAL PAPER Pages: 325 - 331
Molecular Modeling Study on Dapsone and Sulfonamides Comparing Structures and Properties with Respect to Anti-Leprosy Activity Thomas SciorGünter RaddatzHans A. Bisswanger ORIGINAL PAPER Pages: 332 - 337
3D-QSAR Analysis and Molecular Modeling Investigations of Piritrexim and Analogous Romy FleischerMichael WieseMario Zink ORIGINAL PAPER Pages: 338 - 346
Simulation of Adsorption Isotherms of Water on Ionic Surfaces Elmar StöckelmannEwald Mirko AydtReinhard Hentschke ORIGINAL PAPER Pages: 347 - 354
Molecular Dynamic and Conformational Study of an Unsaturated 12-crown-S2O2 Ether and its AgI Complexes Manuela GrotjahnHans-Joachim DrexlerHans-Jürgen Holdt ORIGINAL PAPER Pages: 355 - 358
Substrate Access to Cytochrome P450cam: A Comparison of a Thermal Motion Pathway Analysis with Molecular Dynamics Simulation Data Susanna K. LüdemannOliviero CarugoRebecca C. Wade ORIGINAL PAPER Pages: 369 - 374
Study of the Tautomerism by Experimentally and Theoretically Estimated 13C and 15N Chemical Shifts Andreas KochErich Kleinpeter ORIGINAL PAPER Pages: 375 - 381