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BIOCOMP
2008
14 years 11 months ago
Specificity Normalization for Identifying Selective Inhibitors in Virtual Screening
ct The enrichment and recall of known inhibitors in a virtual screen are correlated with the probability of finding effective inhibitors through this process. In practice, a large ...
Reetal Pai, James C. Sacchettini, Thomas R. Ioerge...
BMCBI
2010
103views more  BMCBI 2010»
14 years 9 months ago
Virtual Screening of potential drug-like inhibitors against Lysine/DAP pathway of Mycobacterium tuberculosis
Background: An explosive global spreading of multidrug resistant Mycobacterium tuberculosis (Mtb) is a catastrophe, which demands an urgent need to design or develop novel/potent ...
Aarti Garg, Rupinder Tewari, Gajendra P. S. Raghav...
BMCBI
2007
113views more  BMCBI 2007»
14 years 9 months ago
In silico panning for a non-competitive peptide inhibitor
Background: Peptide ligands have tremendous therapeutic potential as efficacious drugs. Currently, more than 40 peptides are available in the market for a drug. However, since cos...
Yukiko Yagi, Kotaro Terada, Takahisa Noma, Kazunor...
BMCBI
2008
84views more  BMCBI 2008»
14 years 9 months ago
Prediction of specificity-determining residues for small-molecule kinase inhibitors
Background: Designing small-molecule kinase inhibitors with desirable selectivity profiles is a major challenge in drug discovery. A high-throughput screen for inhibitors of a giv...
Daniel R. Caffrey, Elizabeth A. Lunney, Deborah J....
BMCBI
2010
125views more  BMCBI 2010»
14 years 9 months ago
A computational screen for site selective A-to-I editing detects novel sites in neuron specific Hu proteins
Background: Several bioinformatic approaches have previously been used to find novel sites of ADAR mediated A-to-I RNA editing in human. These studies have discovered thousands of...
Mats Ensterö, Örjan Åkerborg, Dani...