IconBAZAAR 3D Animated Molecules
In place 1999.  Updated August 11, 2000.  Copyright © 1999 IconBAZAAR LLC.

Selected WWW Resources on
Molecular Modeling

Chemicals with Pharmaceutical Activity - A 3D Structural Database

Department of Chemistry, University of Oxford.

The compounds are listed alphabetically.

See also: Molecules of the Month


Chemistry Molecular Models

Tom Zamis, Ph.D., Chemistry Department, University of Wisconsin - Stevens Point.

A nicely organized list of links to the hundreds of structures available at the Protein Databank of the Research Collaboratory for Structural Bioinformatics, the single international repository for the processing and distribution of 3D macromolecular structure data primarily determined experimentally by X-ray crystallography and NMR.  There are now over 10,000 structures available.


Hetero Compound Information Centre (HIC-Up)

Gerard J. Kleywegt, Departments of Structural Biology, Biomedical Centre, Uppsala University

Structures of almost 2,000 heterocyclic compounds are available.  The site allows compounds to be located by Residue name, Trivial name, Chemical formula, Non-H atoms and Composition.


Hyperactive Molecules

A smorgasbord of 3D animated renderings of biological molecules.  The collection is small but interesting.


IMB Jena Image Library of Biological Macromolecules

Instut für Molekulare Biotechnologie.

"The IMB Jena Image Library of Biological Macromolecules is aimed at a better dissemination of information on three-dimensional biopolymer structures with an emphasis on visualization and analysis. It provides access to all structure entries deposited at the Protein Data Bank (PDB) or at the Nucleic Acid Database (NDB). In addition, basic information on the architecture of biopolymer structures is available. The IMB Jena Image Library intends to fulfill both scientific and educational needs."

Includes:  Basic Information on Biological Macromolecules and an Atlas of Macromolecule Structures with 3D animated structures of proteins and nucleic acids.


Klotho:  Biochemical Compounds Declarative Database

"Klotho is part of our attempt to model biological processes, beginning with biochemistry. 

 . . . .

I call the whole project Moirai, after the three Fates of antiquity, since fundamentally these are questions about the fates of molecules and cells."

See: Klotho:  Alphabetical Compound List.


Molecular Expressions: Images from the Microscope.

Michael W. Davidson, Florida State University.

"Welcome to the Molecular Expressions Website featuring our acclaimed photo galleries that explore the fascinating world of optical microscopy. We are going where no microscope has gone before by offering one of the Web's largest collections of color photographs taken through an optical microscope (commonly referred to as "photo-micro-graphs"). Visit our Photo Gallery for an introductory selection of images covering just about everything from beer and ice cream to integrated circuits and ceramic superconductors."

The site includes photomicrographs of what appear to be crystalline forms of many biochemicals and organic compounds.  Included are Amino-Acids, Vitamins, Pesticides and Pharmaceuticals.


Molecular Models for Biochemistry at CMU

"The linked pages described here have tutorials and quizzes that are based on Chime and RasMol images of the molecules and macromolecules found in biochemistry. They are intended to complement standard biochemistry texts where more explanation is provided, but where interactive 3-D images of the molecules are not available."

This is a large collection of links to 3D molecular images.


Multimedia Chemistry Resources

Ghislain Deslongchamps, Department of Chemistry, University of New Brunswick.

This is a HUGE collection of links to 3D molecular image resources.  It includes links to most of the 3D imaging software such as Chime and RasMol.


Nick's Molecular Art Gallery

Nicholas C. DeMello Ph.D.

"Welcome to my gallery. These are images of molecular art that I have created to illustrate various chemical discoveries. I think molecular illustration can be both an intriguing topic for artistic expression, and--more importantly--an extremely effective way to communicate the nuances of chemical reactivity. I hope you enjoy exploring these images.

These images were created with some combination of POV-Ray, Photoshop, LightWave, Chem3D, BBEdit and my own proprietary software. For the best effect, you are strongly recommended to view these images with your monitor set to 16 bit or higher color depth."


Online Macromolecular Museum

David Marcey - California Lutheran University.

"The Online Macromolecular Museum (OMM) is a site for the display and study of macromolecules. Macromolecular structures, as discovered by crystallographic or NMR methods, are scientific objects in much the same sense as fossil bones or dried specimens: they can be archived, studied, and displayed in aesthetically pleasing, educational exhibits. Hence, a museum seems an appropriate designation for the collection of displays that we are assembling. The OMM's exhibits are interactive tutorials on individual molecules in which hypertextual explanations of important biochemical features are linked to illustrative renderings of the molecule at hand."

Includes:  Hall of Introductory Exhibits, Hall of DNA polymerization, Hall of DNA recombination, Hall of DNA modification, Hall of oxidoreductases, Hall of cell adhesion and Hall of porins and channels.


RasMol Gallery

University of Massachusetts Amherst

Includes:

  • RasMol Images by Roger Sayle. Four high-resolution images illustrating RasMol's best by the creator of RasMol.

  • RasMol Images by Eric Martz. Images from "movie" scripts on DNA, antibody:antigen, major histocompatibility proteins presenting peptide antigens, SH2 domain with phosphotyrosine. Also non-script images of ATP, tRNA, and lipid bilayers.

  • Gallery of Non-RasMol Images in the Other Software section.


Simple, Common and Interesting Compounds

Indiana University.

Categories include:  Minerals, Simple Stuff, Elements, Human Health, Vitamins, Medicines, Drugs and Stimulants Environmental, Plants and Stuff, Amino Acids, Nucleotides, Boron Hydrides, Macromolecules, Poisons, Weird and Neat Stuff, Inorganic Compounds, Organic Compounds and Structures from the research laboratories of Indiana University.


Small Molecules for Modern/Cell Biology

Department of Biological Sciences, Carnegie Mellon University.

Available structures are:  ATP (Adenosine Triphosphate), Glucose (cyclic form), Sucrose (Disaccharide), L-Glyceraldehyde, Glycerol, Phospholipid, cAMP (cyclic AMP), Three H2O molecules, MgATP (hydrogens not shown), Glucose (open chain form), Fructose, D-Glyceraldehyde, Oleic Acid (a fatty acid), Palmitic Acid (a fatty acid), Cholesterol and NAD+


Smell Database

ModularCHEM Consortium, UC Berkeley.

A large collection of 3D molecular models for smelly compounds.  The compounds are listed in alphabetical order.


Structure Data Base

Tokyo University of Pharmacy and Life Science

"Here you will find a comprehensive listing of the 3D pharmaceutical structures compiled according to the Japanese Pharmacopeia, 13th edition.  The Japanese ethical, or nonprescription drugs are noted with an * (cf. the Physicians' Desk Reference (PDR), and the U.S. Parmacopeia, National Formulary)."

Compounds are arranged alphabetically by name and there is a search tool.
 
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