IMProv: A Resource for Cross-link-Driven Structure Modeling that Accommodates Protein Dynamics.

ABSTRACT: Proteomics methodology has expanded to include protein structural analysis, primarily through cross-linking mass spectrometry (XL-MS) and hydrogen-deuterium exchange mass spectrometry (HX-MS). However, while the structural proteomics community has effective tools for primary data analysis, there is a need for structure modeling pipelines that are accessible to the proteomics specialist. Integrative structural biology requires the aggregation of multiple distinct types of data to generate models that satisfy all inputs. Here, we describe IMProv, an app in the Mass Spec Studio that combines XL-MS data with other structural data, such as cryo-EM densities and crystallographic structures, for integrative structure modeling on high-performance computing platforms. The resource provides an easil

SUBMITTER: Ziemianowicz DS 

PROVIDER: S-EPMC8452774 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature