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Volume 2; Issue 9
Main
Journal of Molecular Modeling
Volume 2; Issue 9
Journal of Molecular Modeling
Volume 2; Issue 9
1
Characterization of a Novel Reverse-orientation Model for a Peptide/MHC Complex Putatively Associated with Type I Diabetes Mellitus
Carol DeWeese
,
William W. Kwok
,
Gerald T. Nepom
,
Terry P. Lybrand
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 855 KB
Your tags:
english, 1996
2
Ab Initioand Molecular Mechanics Calculations of Various Substituted Ureas - Rotational Barriers and a New Parametrization for Ureas
Thomas Strassner
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 115 KB
Your tags:
english, 1996
3
Sedimentation of Clusters of Spheres
Konrad Hinsen
,
Gerald Reinhard Kneller
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 1.06 MB
Your tags:
english, 1996
4
Sedimentation of Clusters of Spheres
Gerald Reinhard Kneller
,
Konrad Hinsen
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 230 KB
Your tags:
english, 1996
5
Proceedings of 10th Molecular Modelling Workshop Darmstadt, Germany, May 14 - 15, 1996 Preface and Abstracts
Timothy Clark
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 412 KB
Your tags:
english, 1996
6
NpH-MD-Simulations of the Elastic Moduli of Cellulose II at Room Temperatue
Johannes Ganster
,
John Blackwell
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 476 KB
Your tags:
english, 1996
7
MD — Simulation of Diffusion of Methane in Zeolites of Type LTA
Siegfried Fritzsche
,
Martin Gaub
,
Reinhold Haberlandt
,
Gerd Hofmann
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 138 KB
Your tags:
english, 1996
8
Elastic Properties of Polymer Networks
Ralf Everaers
,
Kurt Kremer
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 656 KB
Your tags:
english, 1996
9
The Photodissociation/Recombination Dynamics of I2in an Ar Matrix: Wave Packet Propagation in a Mixed Quantum-Classical Picture
Udo Schmitt
,
Jürgen Brickmann
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 152 KB
Your tags:
english, 1996
10
The Genetic Algorithm Applied as a Modelling Tool to Predict the Fold of Small Proteins with Different Topologies
Thomas Dandekar
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 38 KB
Your tags:
english, 1996
11
Peptides and Peptoids - A Systematic Structure Comparison
Kerstin Möhle
,
Hans-Jörg Hofmann
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 83 KB
Your tags:
english, 1996
12
Molecular Dynamics Simulations on the Coenzyme Thiamin Diphosphate in Apoenzyme Environment
Anne Fircks
,
Stefan Naumann
,
Rudolf Friedemann
,
Stephan König
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 444 KB
Your tags:
english, 1996
13
Gibbs-Ensemble Molecular Dynamics: A New Method for Simulations Involving Particle Exchange
Reinhard Hentschke
,
Tim Bast
,
Ewald Aydt
,
Michael Kotelyanskii
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 582 KB
Your tags:
english, 1996
14
Interaction Energies and Dynamics of Alkali and Alkaline-Earth Cations in Quadruplex-DNA-Structures
Jutta Töhl
,
Wolfgang Eimer
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 140 KB
Your tags:
english, 1996
15
Molecular Dynamics Simulation of a Micellar System
Tim Bast
,
Reinhard Hentschke
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 506 KB
Your tags:
english, 1996
16
Reparametrisation of Force Constants in MOPAC 6.0/7.0 for Better Description of the Activation Barrier of Peptide Bond Rotations
Olaf Ludwig
,
Heiko Schinke
,
Wolfgang Brandt
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 422 KB
Your tags:
english, 1996
17
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 Siebert
,
Claus-Wilhelm Lieth
,
Robert Kaptein
,
UkunM.S. Soedjanaatmadja
,
JohannesF.G. Vliegenthart
,
ChristineS. Wright
,
Hans-Joachim Gabius
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 301 KB
Your tags:
english, 1996
18
Theoretical Study of the Water Exchange Reaction on Divalent Zinc Ion using Density Functional Theory
Michael Hartmann
,
Timothy Clark
,
Rudi Eldik
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 136 KB
Your tags:
english, 1996
19
Investigation of the Uncatalyzed Hydration of CO2and First Approximations to the Active Site of Carbonic Anhydrase - A CombinedAb initioand DFT Study -
Michael Hartmann
,
Timothy Clark
,
Rudi Eldik
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 581 KB
Your tags:
english, 1996
20
Computer-Aided Receptor Modelling of Human Opioid Receptors: (Mu,Kappa&Delta)
Bahram Habibi-Nezhad
,
Mahindokht Hanifian
,
Massoud Mahmoudian
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 104 KB
Your tags:
english, 1996
21
VRML in Cancer Research Local Molecular Properties of the p53 Tumor Suppressor Protein-DNA Interface
Gerd Moeckel
,
Matthias Keil
,
Bertold Spiegelhalder
,
Jürgen Brickmann
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 105 KB
Your tags:
english, 1996
22
Ab initioCalculation of the Conformations and Vibrational Spectra of 2-Phenylbutane
Christian Borsdorf
,
Thomas Dorfmüller
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 126 KB
Your tags:
english, 1996
23
The PIMM Force Field - Recent Developments
Martin Kroeker
,
Hans Jörg Lindner
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 145 KB
Your tags:
english, 1996
24
Quadrupole Relaxation of the7Li+Ion in Dilute Aqueous Solution Determined by Experimental and Theoretical Methods
Ralf Baumert
,
Ralf Ludwig
,
Alfons Geiger
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 84 KB
Your tags:
english, 1996
25
Exploring the Conformational Behavior of Rigid Porphyrin-Quinone Systems by High-Temperature MD Simulations and Temperature-Dependent1H-NMR Experiments
Martin Frank
,
Katrin Peraus
,
HeinzA. Staab
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 470 KB
Your tags:
english, 1996
26
Molecular Modeling Studies on Novel Open-chain and Cyclic Thia Compounds and their Ag(I) and Hg(II) Complexes
Carol DeWeese
,
WilliamW. Kwok
,
GeraldT. Nepom
,
TerryP. Lybrand
Journal:
Journal of Molecular Modeling
Year:
1996
Language:
english
File:
PDF, 855 KB
Your tags:
english, 1996
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