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TCBB
2008
82views more  TCBB 2008»
13 years 4 months ago
Efficient Algorithms to Explore Conformation Spaces of Flexible Protein Loops
Two efficient and complementary sampling algorithms are presented to explore the space of closed clash-free conformations of a flexible protein loop. The "seed sampling" ...
Peggy Yao, Ankur Dhanik, Nathan Marz, Ryan Propper...
BMCBI
2008
104views more  BMCBI 2008»
13 years 5 months ago
Evolutionary Pareto-optimization of stably folding peptides
Background: As a rule, peptides are more flexible and unstructured than proteins with their substantial stabilizing hydrophobic cores. Nevertheless, a few stably folding peptides ...
Wolfram Gronwald, Tim Hohm, Daniel Hoffmann
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
2010
132views more  BMCBI 2010»
13 years 5 months ago
Protein docking by Rotation-Based Uniform Sampling (RotBUS) with fast computing of intermolecular contact distance and residue d
Background: Protein-protein interactions are fundamental for the majority of cellular processes and their study is of enormous biotechnological and therapeutic interest. In recent...
Albert Solernou, Juan Fernández-Recio