The paper summarizes the recent developments in the cre- ation of a constraint-based framework for the analysis of protein confor- mations. The framework is designed to be used by computational and life scientists to provide new insights in the structural analysis of proteins. The framework is composed of two parts: a graphical and web-based user interface and a parallel constraint solving engine. The solver is able to model the geometric and energetic properties of proteins and perform a conformational search among structure candidates. The paper reports the design and preliminary experimental considerations.
Introducing FIASCO: Fragment-based Interactive Assembly for protein Structure prediction with COnstraints
DOVIER, Agostino;FIORETTO, Ferdinando;FOGOLARI, Federico;
2011-01-01
Abstract
The paper summarizes the recent developments in the cre- ation of a constraint-based framework for the analysis of protein confor- mations. The framework is designed to be used by computational and life scientists to provide new insights in the structural analysis of proteins. The framework is composed of two parts: a graphical and web-based user interface and a parallel constraint solving engine. The solver is able to model the geometric and energetic properties of proteins and perform a conformational search among structure candidates. The paper reports the design and preliminary experimental considerations.File in questo prodotto:
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