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BIOCOMP
2009
13 years 9 months ago
Evidence against the Paradigm of Energy Minimization in Protein Design
Abstract-- Stating protein design as an energy minimization in the space of amino acid sequences and rotamer combinations is usual. In the current paper an evolutionary algorithm b...
Andrea Bazzoli, Andrea Tettamanzi
BMCBI
2005
105views more  BMCBI 2005»
13 years 7 months ago
Secondary structure assignment that accurately reflects physical and evolutionary characteristics
Background: Secondary structure is used in hierarchical classification of protein structures, identification of protein features, such as helix caps and loops, for fold recognitio...
Maria Vittoria Cubellis, Fabien Cailliez, Simon C....
CEC
2005
IEEE
14 years 1 months ago
A genetic algorithm for energy minimization in bio-molecular systems
Energy minimization algorithms for bio-molecular systems are critical to applications such as the prediction of protein folding. Conventional energy minimization methods such as th...
Xiaochun Weng, Lutz Hamel, Lenore M. Martin, Joan ...
JCC
2008
92views more  JCC 2008»
13 years 8 months ago
Fast procedure for reconstruction of full-atom protein models from reduced representations
: We introduce PULCHRA, a fast and robust method for the reconstruction of full-atom protein models starting from a reduced protein representation. The algorithm is particularly su...
Piotr Rotkiewicz, Jeffrey Skolnick
BMCBI
2010
120views more  BMCBI 2010»
13 years 8 months ago
Optimal contact definition for reconstruction of Contact Maps
Background: Contact maps have been extensively used as a simplified representation of protein structures. They capture most important features of a protein's fold, being pref...
Jose M. Duarte, Rajagopal Sathyapriya, Henning Ste...