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» A structural keystone for drug design
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CORR
2006
Springer
118views Education» more  CORR 2006»
14 years 11 months ago
Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge s
The organization and mining of malaria genomic and post-genomic data is important to significantly increase the knowledge of the biology of its causative agents, and is motivated,...
L.-M. Birkholtz, Olivier Bastien, G. Wells, D. Gra...
IHI
2012
291views Healthcare» more  IHI 2012»
13 years 7 months ago
PANI: an interactive data-driven tool for target prioritization in signaling networks
Biological network analysis often aims at the target identification problem, which is to predict which molecule to inhibit (or activate) for a disease treatment to achieve optimu...
Huey-Eng Chua, Sourav S. Bhowmick, Lisa Tucker-Kel...
BMCBI
2008
84views more  BMCBI 2008»
14 years 11 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....
IPPS
2006
IEEE
15 years 5 months ago
Parallelization and performance characterization of protein 3D structure prediction of Rosetta
The prediction of protein 3D structure has become a hot research area in the post-genome era, through which people can understand a protein’s function in health and disease, exp...
Wenlong Li, Tao Wang, Eric Li, D. Baker, Li Jin, S...
BIBE
2004
IEEE
149views Bioinformatics» more  BIBE 2004»
15 years 3 months ago
Interactive 3D Protein Structure Visualization Using Virtual Reality
Large-scale biomedical data sets of macromolecular structures such as DNA and proteins describe highly complex biomolecular entities which often consist of thousands of atoms and ...
Elke Moritz, Jörg Meyer