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» Exploration of Evolutionary Relations between Protein Struct...
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BMCBI
2006
117views more  BMCBI 2006»
13 years 7 months ago
Incorporating background frequency improves entropy-based residue conservation measures
Background: Several entropy-based methods have been developed for scoring sequence conservation in protein multiple sequence alignments. High scoring amino acid positions may corr...
Kai Wang, Ram Samudrala
GECCO
2003
Springer
165views Optimization» more  GECCO 2003»
14 years 27 days ago
An Evolutionary Approach for Molecular Docking
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...
Jinn-Moon Yang
CSB
2004
IEEE
177views Bioinformatics» more  CSB 2004»
13 years 11 months ago
High-Throughput 3D Structural Homology Detection via NMR Resonance Assignment
One goal of the structural genomics initiative is the identification of new protein folds. Sequence-based structural homology prediction methods are an important means for priorit...
Christopher James Langmead, Bruce Randall Donald
BMCBI
2006
81views more  BMCBI 2006»
13 years 7 months ago
Multipolar representation of protein structure
Background: That the structure determines the function of proteins is a central paradigm in biology. However, protein functions are more directly related to cooperative effects at...
Apostol Gramada, Philip E. Bourne
BMCBI
2010
123views more  BMCBI 2010»
13 years 7 months ago
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
Brice Hoffmann, Mikhail Zaslavskiy, Jean-Philippe ...