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BMCBI
2010
117views more  BMCBI 2010»
13 years 7 months ago
Beyond rotamers: a generative, probabilistic model of side chains in proteins
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...
BMCBI
2010
103views more  BMCBI 2010»
13 years 7 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
2008
155views more  BMCBI 2008»
13 years 7 months ago
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
BMCBI
2008
142views more  BMCBI 2008»
13 years 7 months ago
Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification
Background: In the present investigation, we have used an exhaustive metabolite profiling approach to search for biomarkers in recombinant Aspergillus nidulans (mutants that produ...
Irene Kouskoumvekaki, Zhiyong Yang, Svava Ó...
BMCBI
2007
168views more  BMCBI 2007»
13 years 7 months ago
GOSim - an R-package for computation of information theoretic GO similarities between terms and gene products
Background: With the increased availability of high throughput data, such as DNA microarray data, researchers are capable of producing large amounts of biological data. During the...
Holger Fröhlich, Nora Speer, Annemarie Poustk...