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» Sequence variation in ligand binding sites in proteins
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BMCBI
2011
12 years 11 months ago
Dissecting protein loops with a statistical scalpel suggests a functional implication of some structural motifs
Background: One of the strategies for protein function annotation is to search particular structural motifs that are known to be shared by proteins with a given function. Results:...
Leslie Regad, Juliette Martin, Anne-Claude Camprou...
BMCBI
2007
97views more  BMCBI 2007»
13 years 7 months ago
Relating destabilizing regions to known functional sites in proteins
Background: Most methods for predicting functional sites in protein 3D structures, rely on information on related proteins and cannot be applied to proteins with no known relative...
Benoit H. Dessailly, Marc F. Lensink, Shoshana J. ...
BMCBI
2010
121views more  BMCBI 2010»
13 years 7 months ago
Knowledge-based annotation of small molecule binding sites in proteins
Background: The study of protein-small molecule interactions is vital for understanding protein function and for practical applications in drug discovery. To benefit from the rapi...
Ratna R. Thangudu, Manoj Tyagi, Benjamin A. Shoema...
IJDMB
2010
216views more  IJDMB 2010»
13 years 5 months ago
Struct-NB: predicting protein-RNA binding sites using structural features
: We explore whether protein-RNA interfaces differ from non-interfaces in terms of their structural features and whether structural features vary according to the type of the bound...
Fadi Towfic, Cornelia Caragea, David C. Gemperline...
CIBCB
2006
IEEE
14 years 1 months ago
A Stochastic model to estimate the time taken for Protein-Ligand Docking
Abstract— Quantum mechanics and molecular dynamic simulation provide important insights into structural configurations and molecular interaction data today. To extend this atomi...
Preetam Ghosh, Samik Ghosh, Kalyan Basu, Sajal K. ...