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BMCBI
2010
154views more  BMCBI 2010»
13 years 5 months ago
Binary image representation of a ligand binding site: its application to efficient sampling of a conformational ensemble
Background: Modelling the ligand binding site of a protein is an important component of understanding proteinligand interactions and is being actively studied. Even if the side ch...
Edon Sung, Sangsoo Kim, Whanchul Shin
BMCBI
2008
92views more  BMCBI 2008»
13 years 5 months ago
Proteochemometric modeling of HIV protease susceptibility
Background: A major obstacle in treatment of HIV is the ability of the virus to mutate rapidly into drug-resistant variants. A method for predicting the susceptibility of mutated ...
Maris Lapinsh, Martin Eklund, Ola Spjuth, Peteris ...
BMCBI
2008
152views more  BMCBI 2008»
13 years 5 months ago
Predicting biological system objectives de novo from internal state measurements
Background: Optimization theory has been applied to complex biological systems to interrogate network properties and develop and refine metabolic engineering strategies. For examp...
Erwin P. Gianchandani, Matthew A. Oberhardt, Antho...
BMCBI
2005
116views more  BMCBI 2005»
13 years 5 months ago
SuperLigands - a database of ligand structures derived from the Protein Data Bank
Background: Currently, the PDB contains approximately 29,000 protein structures comprising over 70,000 experimentally determined three-dimensional structures of over 5,000 differe...
Elke Michalsky, Mathias Dunkel, Andrean Goede, Rob...