Mollack: a web server for the automated creation of conformational ensembles for intrinsically disordered proteins

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Abstract

Summary: Intrinsically disordered proteins (IDPs) play central roles in many biological processes. Consequently, an accurate description of the disordered state is an important step towards a comprehensive understanding of a number of important biological functions. In this work we describe a new web server, Mollack, for the automated construction of unfolded ensembles that uses both experimental and molecular simulation data to construct models for the unfolded state. An important aspect of the method is that it calculates a quantitative estimate of the uncertainty in the constructed ensemble, thereby providing an objective measure of the quality of the final model. Overall, Mollack facilitates structure-function studies of disordered proteins.

Availability and Implementation:http://cmstultz-mollack.mit.edu

Contact:cmstultz@mit.edu

Supplementary information: Supplementary data are available at Bioinformatics online.

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