title: Mollack: a web server for the automated creation of conformational ensembles for intrinsically disordered proteins.
abstract: 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.
  
  
  
  http://cmstultz-mollack.mit.edu
  
  
  
  cmstultz@mit.edu
  
  
  
  Supplementary data are available at Bioinformatics online.
authors.affiliation: Cornell University, Ithaca, NY 14850, USA Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA.
authors.forename: Zachary
authors.initials: Z
authors.lastname: Ziegler
authors.affiliation: Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA.
authors.forename: Molly
authors.initials: M
authors.lastname: Schmidt
authors.affiliation: Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA Computational and Systems Biology Initiative, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA.
authors.forename: Thomas
authors.initials: T
authors.lastname: Gurry
authors.affiliation: Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA.
authors.forename: Virginia
authors.initials: V
authors.lastname: Burger
authors.affiliation: Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA Computational and Systems Biology Initiative, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA The Institute for Medical Engineering and Science, Massachusetts Institute of Technology, Cambridge, MA 02139-4307, USA.
authors.forename: Collin M
authors.initials: CM
authors.lastname: Stultz
mesh_terms: D003201:Computers; D020407:Internet; D064267:Intrinsically Disordered Proteins; D011487:Protein Conformation
chemical_list: D064267:Intrinsically Disordered Proteins