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» Hidden conformations in protein structures
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IJBRA
2007
84views more  IJBRA 2007»
13 years 7 months ago
Is the protein folding an aim-oriented process? Human haemoglobin as example
: The model for protein folding (in silico) simulation is presented. Three steps have been implemented: • early stage folding based on the backbone conformation • hydrophobic c...
Michal Brylinski, Leszek Konieczny, Irena Roterman
MAGS
2007
168views more  MAGS 2007»
13 years 7 months ago
Agent-based protein structure prediction
A protein is identified by a finite sequence of amino acids, each of them chosen from a set of 20 elements. The Protein Structure Prediction Problem is the problem of predicting...
Luca Bortolussi, Agostino Dovier, Federico Fogolar...
BMCBI
2010
154views more  BMCBI 2010»
13 years 7 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
2006
101views more  BMCBI 2006»
13 years 7 months ago
SuperMimic - Fitting peptide mimetics into protein structures
Background: Various experimental techniques yield peptides that are biologically active but have unfavourable pharmacological properties. The design of structurally similar organi...
Andrean Goede, Elke Michalsky, Ulrike Schmidt, Rob...
IJDMB
2010
128views more  IJDMB 2010»
13 years 4 months ago
Computing approximate solutions of the protein structure determination problem using global constraints on discrete crystal latt
: Crystal lattices are discrete models of the three-dimensional space that have been effectively employed to facilitate the task of determining proteins' natural conformation....
Alessandro Dal Palù, Agostino Dovier, Enric...