MDM-TASK-web: MD-TASK and MODE-TASK web server for analyzing protein dynamics.

ABSTRACT: The web server, MDM-TASK-web, combines the MD-TASK and MODE-TASK software suites, which are aimed at the coarse-grained analysis of static and all-atom MD-simulated proteins, using a variety of non-conventional approaches, such as dynamic residue network analysis, perturbation-response scanning, dynamic cross-correlation, essential dynamics and normal mode analysis. Altogether, these tools allow for the exploration of protein dynamics at various levels of detail, spanning single residue perturbations and weighted contact network representations, to global residue centrality measurements and the investigation of global protein motion. Typically, following molecular dynamic simulations designed to investigate intrinsic and extrinsic protein perturbations (for instance induced by allosteric a

SUBMITTER: Sheik Amamuddy O 

PROVIDER: S-EPMC8455658 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature