164views Computer Vision» more  NAR 2011»
7 years 10 months ago
PCDB: a database of protein conformational diversity
PCDB ( is a database of protein conformational diversity. For each protein, the database contains the redundant compilation of all the corresponding cry...
Ezequiel I. Juritz, Sebastian Fernandez Alberti, G...
97views more  CMPB 2010»
8 years 5 months ago
A ligand predication tool based on modeling and reasoning with imprecise probabilistic knowledge
Ligand prediction has been driven by a fundamental desire to understand more about how biomolecules recognize their ligands and by the commercial imperative to develop new drugs. ...
Weiru Liu, Anbu Yue, David J. Timson
108views more  NAR 2006»
8 years 7 months ago
GLIDA: GPCR-ligand database for chemical genomic drug discovery
G-protein coupled receptors (GPCRs) represent one of the most important families of drug targets in pharmaceutical development. GPCR-LIgand DAtabase (GLIDA) is a novel public GPCR...
Yasushi Okuno, Jiyoon Yang, Kei Taneishi, Hiroaki ...
106views more  JIB 2006»
8 years 7 months ago
A structural keystone for drug design
3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...
104views more  BMCBI 2010»
8 years 7 months ago
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-or
Background: G protein-coupled receptors (GPCRs) represent a family of well-characterized drug targets with significant therapeutic value. Phylogenetic classifications may help to ...
Eelke van der Horst, Julio E. Peironcely, Adriaan ...
123views more  BMCBI 2010»
8 years 7 months ago
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
Brice Hoffmann, Mikhail Zaslavskiy, Jean-Philippe ...
144views Bioinformatics» more  BIBE 2010»
8 years 8 months ago
Knowledge-Guided Docking of Flexible Ligands to SH2 Domain Proteins
Studies of interactions between protein domains and ligands are important in many aspects such as cellular signaling and regulation. In this work, we applied a three-stage knowledg...
Haiyun Lu, Shamima Banu Bte Sm Rashid, Hao Li, Wee...