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...
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....
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 ...
: 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...
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...