Disentangling constraints using viability evolution principles in integrative modeling of macromolecular assemblies

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Publications associées (30)

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The polyQ expansion in huntingtin protein (HTT) is the prime cause of Huntington's disease (HD). The recent cryoelectron microscopy (cryo-EM) structure of HTT-HAP40 complex provided the structural information on its HEAT-repeat domains. Here, we present an ...

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The regulation of several processes inside and outside the cell depends on the action of a particular class of enzymes, called allosteric. In allosteric macromolecules, binding a ligand at one site affects the binding activity at a distal functional site, ...

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Supramolecular assemblies with controlled morphology are of paramount importance for energy transport in organic semiconductors. Despite considerable freedom in molecular design, the preparation of dyes that form one dimensional J-aggregates is challenging ...

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Narrow-band photoluminescence (PL) together with high quantum efficiency from organic molecules is essential for high-color-purity emitters. Supramolecular assemblies like J-aggregates are promising materials due to their narrow PL signal with full-width a ...

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Predicting interactions between proteins and other biomolecules solely based on structure remains a challenge in biology. A high-level representation of protein structure, the molecular surface, displays patterns of chemical and geometric features that fin ...

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rstoolbox - a Python library for large-scale analysis of computational protein design data and structural bioinformatics

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BackgroundLarge-scale datasets of protein structures and sequences are becoming ubiquitous in many domains of biological research. Experimental approaches and computational modelling methods are generating biological data at an unprecedented rate. The deta ...

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