Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
http://ligand-depot.rutgers.edu/
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Ligand Expo Home | ligand-depot.rutgers.edu Reviews
https://ligand-depot.rutgers.edu
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
ligand-depot.rutgers.edu
Ligand Expo Acknowledgments
http://ligand-depot.rutgers.edu/acknowledgements.html
Please reference our prior publication describing Ligand Depot:. Ligand Depot: a data warehouse for ligands bound to macromolecules. Bioinformatics. 2004 Sep 1;20(13):2153-5. Feng Z, Chen L, Maddula H, Akcan O, Oughtred R, Berman HM, Westbrook J. Ligand Expo is being developed at Rutgers University as part of the RCSB PDB. Project. The RCSB PDB is managed by two members of the RCSB: Rutgers, The State University of New Jersey. And the San Diego Supercomputer Center. The National Library of Medicine (NLM).
Ligand Expo Help
http://ligand-depot.rutgers.edu/help.html
On-line Help for Ligand Expo. Name, Formula and SMILES Search. This form searches the chemical component dictionary by molecular name, molecular formula, or SMILES description. A number of search types are supported:. Chemical Component Identifier search options:. Matching the chemical component identifier (3-letter-code). Matching chemically similar chemical components identified by a 3-letter-code using a fingerprint comparison. Molecular formula search options:. Exact all atom formula matches. The sim...
Ligand Expo Downloads
http://ligand-depot.rutgers.edu/ld-download.html
MmCIF format dictionary ( text. MmCIF format variants dictionary ( text. SDF/MOL format file of dictionary ideal geometries ( gzip. PDBML format dictionary ( tar.gz. PDBML format variants dictionary ( tar.gz. SMILES (OpenEye with stereo) ( tab delimited text. SMILES (OpenEye) ( tab delimited text. SMILES (CACTVS with stereo) ( tab delimited text. SMILES (CACTVS) ( tab delimited text. InChI ( tab delimited text. InChIKey ( tab delimited text. Chemical component coordinate data files. Is the first characte...
Ligand Expo Home
http://ligand-depot.rutgers.edu/index.html
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
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T3DB: Data Sources
http://www.t3db.ca/sources
Automatically determined, internal program. Automatically determined, internal program. Automatically determined, internal program. PubChem, UniProt, PubMed, DrugBank. Wikipedia, manual search. HMDB, DrugBank, PubChem, NIST Chemistry WebBook, KEGG, NCI Database Browser, PharmGKB, FDA, ChEBI, ChemExpert. HMDB, DrugBank, PubChem. Wikipedia, PubChem, manual search. HMDB, DrugBank, PubChem, NIST Chemistry WebBook, World Wide Molecular Matrix, manual search. HMDB, DrugBank, KEGG, PubChem, ChEBI. SNPJam (inter...
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ligand-catalyst.com
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Ligand Expo Home
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
Ligand Expo Home
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
Ligand Expo Home
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
Ligand Expo Home
Version 1 Updated: 26-Jan-2016. The Ligand Expo Tutorial. Contains a summary of query, report and download features. Menu to find a chemical component or build a new chemical component. Menu to view tabulations of modified amino acids and nucleotides. For links to chemical dictionaries and resource files. For a brief tutorial on the content of the Chemical Component Dictionary.
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