sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
暂无分享,去创建一个
Didier Rognan | Guillaume Bret | Esther Kellenberger | Pascal Muller | Nicolas Foata | Claire Schalon | E. Kellenberger | G. Bret | D. Rognan | C. Schalon | P. Muller | Nicolas Foata
[1] Shaomeng Wang,et al. An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes , 2004, J. Chem. Inf. Model..
[2] Paul Labute,et al. On the Perception of Molecules from 3D Atomic Coordinates , 2005, J. Chem. Inf. Model..
[3] T. N. Bhat,et al. The PDB data uniformity project , 2001, Nucleic Acids Res..
[4] Thierry Langer,et al. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters , 2005, J. Chem. Inf. Model..
[5] Nikolay P Savchuk,et al. Exploring the chemogenomic knowledge space with annotated chemical libraries. , 2004, Current opinion in chemical biology.
[6] Richard D. Taylor,et al. Modeling water molecules in protein-ligand docking using GOLD. , 2005, Journal of medicinal chemistry.
[7] Gene Ontology Consortium. The Gene Ontology (GO) database and informatics resource , 2003 .
[8] M Hendlich,et al. LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins. , 1997, Journal of molecular graphics & modelling.
[9] R. Glen,et al. Molecular similarity: a key technique in molecular informatics. , 2004, Organic & biomolecular chemistry.
[10] T. N. Bhat,et al. The Protein Data Bank: unifying the archive , 2002, Nucleic Acids Res..
[11] Julia V Ponomarenko,et al. Assigning new GO annotations to protein data bank sequences by combining structure and sequence homology , 2005, Proteins.
[12] Ian Tickle,et al. High-throughput protein crystallography and drug discovery. , 2004, Chemical Society reviews.
[13] Janet M. Thornton,et al. PDBsum more: new summaries and analyses of the known 3D structures of proteins and nucleic acids , 2004, Nucleic Acids Res..
[14] Valentin A. Ilyin,et al. LigBase: a database of families of aligned ligand binding sites in known protein sequences and structures , 2002, Bioinform..
[15] Amos Bairoch,et al. The ENZYME database in 2000 , 2000, Nucleic Acids Res..
[16] T Lengauer,et al. The particle concept: placing discrete water molecules during protein‐ligand docking predictions , 1999, Proteins.
[17] Vladimir A. Ivanisenko,et al. PDBSite: a database of the 3D structure of protein functional sites , 2004, Nucleic Acids Res..
[18] Cathy H. Wu,et al. UniProt: the Universal Protein knowledgebase , 2004, Nucleic Acids Res..
[19] R. Abagyan,et al. Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes* , 2005, Molecular & Cellular Proteomics.
[20] N. Paul,et al. Recovering the true targets of specific ligands by virtual screening of the protein data bank , 2004, Proteins.
[21] A. Hopkins,et al. The druggable genome , 2002, Nature Reviews Drug Discovery.
[22] A. W. Schüttelkopf,et al. PRODRG: a tool for high-throughput crystallography of protein-ligand complexes. , 2004, Acta crystallographica. Section D, Biological crystallography.
[23] F. Lombardo,et al. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. , 2001, Advanced drug delivery reviews.
[24] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[25] Michael G. Lerner,et al. Binding MOAD (Mother Of All Databases) , 2005, Proteins.
[26] T. N. Bhat,et al. The Protein Data Bank , 2000, Nucleic Acids Res..
[27] Sameer Velankar,et al. E-MSD: an integrated data resource for bioinformatics , 2004, Nucleic Acids Res..
[28] Maria Jesus Martin,et al. The SWISS-PROT protein knowledgebase and its supplement TrEMBL in 2003 , 2003, Nucleic Acids Res..
[29] W. Patrick Walters,et al. Filtering databases and chemical libraries , 2004, Molecular Diversity.
[30] Zukang Feng,et al. Ligand Depot: a data warehouse for ligands bound to macromolecules , 2004, Bioinform..
[31] Janet M. Thornton,et al. SCOPEC: a database of protein catalytic domains , 2004, ISMB/ECCB.
[32] Gerhard Klebe,et al. Relibase: design and development of a database for comprehensive analysis of protein-ligand interactions. , 2003, Journal of molecular biology.
[33] G. Klebe,et al. A new method to detect related function among proteins independent of sequence and fold homology. , 2002, Journal of molecular biology.
[34] S. Henikoff,et al. Amino acid substitution matrices from protein blocks. , 1992, Proceedings of the National Academy of Sciences of the United States of America.
[35] T. A. Jones,et al. Databases in protein crystallography. , 1998, Acta crystallographica. Section D, Biological crystallography.