Predicting ion mobility collision cross sections using projection approximation with ROSIE-PARCS webserver.

ABSTRACT: Ion mobility coupled to mass spectrometry informs on the shape and size of protein structures in the form of a collision cross section (CCSIM). Although there are several computational methods for predicting CCSIM based on protein structures, including our previously developed projection approximation using rough circular shapes (PARCS), the process usually requires prior experience with the command-line interface. To overcome this challenge, here we present a web application on the Rosetta Online Server that Includes Everyone (ROSIE) webserver to predict CCSIM from protein structure using projection approximation with PARCS. In this web interface, the user is only required to provide one or more PDB files as input. Results from our case studies suggest that CCSIM predictions (with ROSIE-P

SUBMITTER: Turzo SMBA 

PROVIDER: S-EPMC10516336 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature