site map |  about BIDD |  databases |  software |  teaching |  research |  links 
National University of Singapore, Science Faculty, Computational Sci Dept

Links to On-Line Databases:

General databases:

Sequence databases:

Macromolecular Structures:

  • Protein Data Bank (PDB).  3D crystal and NMR structure of proteins, DNA, RNA and ligand-bound complexes. Official mirror site in Singapore,  and other places in China., Japan, Taiwan and several places in USA: Boston, North Carolina.

  • Nucleic Acids Database (NDB).   3D crystal structure of DNA and RNA.  Mirror sites in UK, Japan, and other sites in USA: San Diego.

  • SCOP.  Structural classification of proteins. Mirror sites in Singapore, China, the U.S., and Japan.

  • CATH. Protein Structure Classification. A hierarchical domain classification of protein structures in PDB.

  • MODBASE. A database of Comparative Protein Structure Models. Models were generated by PSI-BLAST and MODELLER. As of Aug 2000, there are 3,379 reliable models for domains in 2,220 proteins, and 5433 reliable fold assignments for domains in 3,083 proteins.

  • Swiss-Model.   An automated protein modeling server.

  • The RNA Modification Database.  Provides a comprehensive listing of posttranscriptionally modified nucleosides from RNA.

Protein Function and Pathways:


Chem 3D Structure Databases:


Drug and Receptor Properties Databases:


Clinical Drug, Side-Effect and Toxicology Databases:
  • Drug ADME Associated Protein Database. A database for facilitating the search for drug Absorption, Distribution, Metabolism, Excretion associated proteins. It contains information about known drug ADME associated proteins, functions, similarities, substrates / ligands, tissue distributions, and other properties of the targets. Associated references are also included. Currently this database contains 321 protein entries.

  • Drug Adverse Reaction Target (DART). A database for facilitating the search for drug adverse reaction target. It contains information about known drug adverse rection targets, functions and properties. Associated references are also included.

  • Virtual Drug Store Search Database. Site contains information on useage, function, side effect, drug interactions, and literature of clinically used drugs.

  • Pharmaceutical Information Network . A comprehensive information database about drugs and diseases.

  • U. S. Food and Drug Administration Center for Drug Evaluation and Research.

  • Side Effect Registry for Antidepressant Drugs. Site provides side effect data on a number of antidepressant drugs.

  • Internet Mental Health . Site contains information on 67 most common psychiatric drugs as well as that for most common mental disorders and internet links.

  • Internet Drug Index. Comprehensive information about prescription and over the counter drugs. Site also gives list of top 200 drugs in each year since 1996.

  • Health Answers. Site contains information on symptoms and iseases (definition, what is going on, symptom, diagnostics and treatment etc.) and drugs (their uses, side effects, and generic and brand names etc.). A convenient keyword search facility.

  • TOXNET. A cluster of databases on toxicology, hazardous chemicals, and related areas.

Clinical Trials Databases:

  • CenterWatch.  A general database of clinical trials divided into four main sections: listings for more than 7,500 clinical trials, searchable by therapeutic area and geographic region; newly approved drug therapies; and research center and industry provider profiles.

  • OncoLink. Comprehensive listing of Internet clinical trial resources, as well as a searchable database of all open UPCC clinical trials, frequently asked questions, and news.

  • CancerNet. Containing information on over 1,600 open clinical trials, including all NCI funded studies, this is the most comprehensive resource for locating clinical trials in the US.

Natural Products Databases:

  • HerbNET. For everything herbal.

  • HerbMe. An interactive, electronic herbal database - provides hyperlinked access to the cientific data underlying the use of herbs for health.

  • The Vaults of Erowid. A collection of information and links about ethnobotany, and the medicinal use of plants.

  • EthnoMedicinals Home Page.  Dedicated to the transfer of information on the use of herbs and other natural products in biochemistry, pharmacology, and traditional medicine.

  • Medicinal and Poisonous Plant Databases. Info and internet links about specific plants, medical resources, pharmacognosy, herbalism, chemistry and molecular modeling.

Disease Information Databases:

  • PDD - NIMH-NCI Protein-Disease Database. A relational database designed to answer questions regarding protein patterns found in common body fluids with respect to disease conditions discussed in the literature.

  • Karolinska disease database. A catalog of Web resources for lay persons, health care professionals and scientists. Also features an alphabetical list of diseases.

  • CancerNet. Oncology - for researchers, physicians, patients.

Traditional Medicine Databases:

Patent and Technology Transfer:

Computational Methods and Algorithms:

  • Numerical Recipes Books On Line.  Provides the complete numerical recipes books in C, Fortran 77, and Fortran 90, in both Acrobat and PostScript format.

Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543