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» A structural keystone for drug design
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CORR
2006
Springer
118views Education» more  CORR 2006»
15 years 6 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»
14 years 2 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»
15 years 6 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
16 years 21 days 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 10 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