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- Title
AlloSigMA: allosteric signaling and mutation analysis server.
- Authors
Guarnera, Enrico; Zhen Wah Tan; Zejun Zheng; Berezovsky, Igor N.
- Abstract
Motivation: Allostery is an omnipresent mechanism of the function modulation in proteins via either effector binding or mutations in the exosites. Despite the growing number of online servers and databases devoted to prediction/classification of allosteric sites and their characteristics, there is a lack of resources for an efficient and quick estimation of the causality and energetics of allosteric communication. Results: The AlloSigMA server implements a unique approach on the basis of the recently introduced structure-based statistical mechanical models of allosteric signaling. It provides an interactive framework for estimating the allosteric free energy as a result of the ligand(s) binding, mutation(s) and their combinations. Latent regulatory exosites and allosteric effect of mutations can be detected and explored, facilitating the research efforts in protein engineering and allosteric drug design.
- Subjects
PROTEINS; ALLOSTERIC proteins; PROTEIN analysis; AMINO acid sequence; ABNORMAL protein analysis
- Publication
Bioinformatics, 2017, Vol 33, Issue 24, p3996
- ISSN
1367-4803
- Publication type
Article
- DOI
10.1093/bioinformatics/btx430