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Molecular Modelling

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Journals

Resources

Research Groups

Software



Databases

The Molecular Modelling Database
A compilation of all the Brookhaven Protein DataBank 3-dimensional structures of biomolecules from crystallographic and NMR studies.


Journals

Journal of Molecular Structure
Published by Elsevier Science

Journal of Molecular Graphics
Published in Association with the Molecular Graphics
Modelling Society

Journal of Molecular Modelling

Journal of Molecular Modelling

Journal of Computer-Aided Molecular Design

Theochem
Journal of Molecular Structure Theory and Modelling

Journal of Inclusion Phenomena and
Molecular Recognition in Chemistry


Molecular Simulation

Resources

Atlas of Side-Chain and Main-Chain Hydrogen Bonding

CAChe Molecular Modelling Tutorials

CMC Modelling Guide

Computer Animation of Chemical Structures

The Molecular Modeling Database

Molecular Modelling Workshop

The National Institute of Health-Molecular Modeling Home Page

The Representation of Molecular Models

Chemical Examples of VRML

Biocomputing and Molecular Modelling

Molecular Modelling Art Gallery

The Representation of Molecular Molecules

Students Access Molecular Structures and Modelling
Presented by: The Royal Netherlands Chemical Society and CAOS/CAMM Center


Research Groups

Biomolecular Modelling Laboratory
Imperial Cancer Research Fund

Biomolecular Structure and Modelling Group
University College London

Molecular Dynamics Laboratory
Griffith University

Computational Centre for Molecular Structure and Design
University of Georgia

Computer Simulation in Chemical Engineering
University of Amsterdam

Molecualr Modelling
Institute for Organic Chemistry
Technical University Graz

Molecular Modelling
University of Joensuu

Molecular Modelling Group
University of Bath

Molecular Structures and Biocomputing
Åbo Akademi University


Software

3D Molecular Models Workshop
A program that is designed for the teaching and learning of organic chemistry,
more specifically those topics relating to the 3D structure of molecules.
University of Melbourne

Amber
a molecular mechanical force field for the simulation of biomolecules and a package of molecular simulation programs

Biosym Technologies

ChemEdit
Software for creating 3D Models of Organic Molecules

Chemical Structure Drawing and Molecular Modelling

Chemical Structure Drawing Standard

ChemWeb
Chemistry Drawing Program for Web Publishing

Chemscape
Allows rendering of 2D and 3D chemical and biologicalstructures within a Web page or table

Corina 3D Coordinates

Interactive Simulations Inc.

ISIS/Draw
A program for preparing reports and presentations. Creating structure queries. Drawing structures for registration, and Viewing chemical structures

Macromodel

MathMol

MINEQL+
A Chemical Equilibrium Modeling System

Molcad
VRML in Chemistry

Molecular Simulations

MolEdit

MolScript

Namot
Nucleic Acid Modelling Tool

Oxford Molecular Ltd.

Parallel Molecular Dynamics Simulation

PovChem

RasMol
A Molecular Visualization Program

UCSF Midas Plus
Molecular Display and Simulation Software

UniChem

Wavefunction

WebLab ViewerPro
by Molecular Siomulations Inc.

XMol
X Windows System Molecule veiwer and format converter