| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab Initio and Molecular Mechanics Calculations of Various Substituted Ureas - Rotational Barriers and a New Parametrization for Ureas
|
Strassner, Thomas
|
|
1996
|
2 |
9 |
p. 217-226
|
artikel
|
| 2 |
Ab initio Calculation of the Conformations and Vibrational Spectra of 2-Phenylbutane
|
Borsdorf, Christian
|
|
1996
|
2 |
9 |
p. 373-375
|
artikel
|
| 3 |
Characterization of a Novel Reverse-orientation Model for a Peptide/MHC Complex Putatively Associated with Type I Diabetes Mellitus
|
DeWeese, Carol
|
|
1996
|
2 |
9 |
p. 205-216
|
artikel
|
| 4 |
Computer-Aided Receptor Modelling of Human Opioid Receptors: (Mu, Kappa & Delta)
|
Habibi-Nezhad, Bahram
|
|
1996
|
2 |
9 |
p. 362-369
|
artikel
|
| 5 |
Elastic Properties of Polymer Networks
|
Everaers, Ralf
|
|
1996
|
2 |
9 |
p. 293-299
|
artikel
|
| 6 |
Exploring the Conformational Behavior of Rigid Porphyrin-Quinone Systems by High-Temperature MD Simulations and Temperature-Dependent 1H-NMR Experiments
|
Frank, Martin
|
|
1996
|
2 |
9 |
p. 383-385
|
artikel
|
| 7 |
Gibbs-Ensemble Molecular Dynamics: A New Method for Simulations Involving Particle Exchange
|
Hentschke, Reinhard
|
|
1996
|
2 |
9 |
p. 319-326
|
artikel
|
| 8 |
Interaction Energies and Dynamics of Alkali and Alkaline-Earth Cations in Quadruplex-DNA-Structures
|
Töhl, Jutta
|
|
1996
|
2 |
9 |
p. 327-329
|
artikel
|
| 9 |
Investigation of the Uncatalyzed Hydration of CO2 and First Approximations to the Active Site of Carbonic Anhydrase - A Combined Ab initio and DFT Study -
|
Hartmann, Michael
|
|
1996
|
2 |
9 |
p. 358-361
|
artikel
|
| 10 |
MD — Simulation of Diffusion of Methane in Zeolites of Type LTA
|
Fritzsche, Siegfried
|
|
1996
|
2 |
9 |
p. 286-292
|
artikel
|
| 11 |
Molecular Dynamics Simulation of a Micellar System
|
Bast, Tim
|
|
1996
|
2 |
9 |
p. 330-340
|
artikel
|
| 12 |
Molecular Dynamics Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment
|
Fircks, Anne von
|
|
1996
|
2 |
9 |
p. 312-318
|
artikel
|
| 13 |
Molecular Modeling Studies on Novel Open-chain and Cyclic Thia Compounds and their Ag(I) and Hg(II) Complexes
|
Krueger, Torsten
|
|
1996
|
2 |
9 |
p. 386-389
|
artikel
|
| 14 |
NpH-MD-Simulations of the Elastic Moduli of Cellulose II at Room Temperatue
|
Ganster, Johannes
|
|
1996
|
2 |
9 |
p. 278-285
|
artikel
|
| 15 |
Peptides and Peptoids - A Systematic Structure Comparison
|
Möhle, Kerstin
|
|
1996
|
2 |
9 |
p. 307-311
|
artikel
|
| 16 |
Proceedings of 10th Molecular Modelling Workshop Darmstadt, Germany, May 14 - 15, 1996 Preface and Abstracts
|
Clark, Timothy
|
|
1996
|
2 |
9 |
p. 251-277
|
artikel
|
| 17 |
Quadrupole Relaxation of the 7Li+ Ion in Dilute Aqueous Solution Determined by Experimental and Theoretical Methods
|
Baumert, Ralf
|
|
1996
|
2 |
9 |
p. 379-382
|
artikel
|
| 18 |
Reparametrisation of Force Constants in MOPAC 6.0/7.0 for Better Description of the Activation Barrier of Peptide Bond Rotations
|
Ludwig, Olaf
|
|
1996
|
2 |
9 |
p. 341-350
|
artikel
|
| 19 |
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
|
Siebert, Hans-Christian
|
|
1996
|
2 |
9 |
p. 351-353
|
artikel
|
| 20 |
Sedimentation of Clusters of Spheres
|
Hinsen, Konrad
|
|
1996
|
2 |
9 |
p. 227-238
|
artikel
|
| 21 |
Sedimentation of Clusters of Spheres
|
Kneller, Gerald Reinhard
|
|
1996
|
2 |
9 |
p. 239-250
|
artikel
|
| 22 |
The Genetic Algorithm Applied as a Modelling Tool to Predict the Fold of Small Proteins with Different Topologies
|
Dandekar, Thomas
|
|
1996
|
2 |
9 |
p. 304-306
|
artikel
|
| 23 |
Theoretical Study of the Water Exchange Reaction on Divalent Zinc Ion using Density Functional Theory
|
Hartmann, Michael
|
|
1996
|
2 |
9 |
p. 354-357
|
artikel
|
| 24 |
The Photodissociation/Recombination Dynamics of I2 in an Ar Matrix: Wave Packet Propagation in a Mixed Quantum-Classical Picture
|
Schmitt, Udo
|
|
1996
|
2 |
9 |
p. 300-303
|
artikel
|
| 25 |
The PIMM Force Field - Recent Developments
|
Kroeker, Martin
|
|
1996
|
2 |
9 |
p. 376-378
|
artikel
|
| 26 |
VRML in Cancer Research Local Molecular Properties of the p53 Tumor Suppressor Protein-DNA Interface
|
Moeckel, Gerd
|
|
1996
|
2 |
9 |
p. 370-372
|
artikel
|
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