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J Proteomics. 2016 Feb 16;134:65-75. doi: 10.1016/j.jprot.2015.09.026. Epub 2015 Oct 9.

In silico prediction and characterization of protein post-translational modifications.

Author information

1
Dipartimento di Scienze Farmacologiche e Biomolecolari, Università degli Studi di Milano, Gruppo di Studio per la Proteomica e la Struttura delle Proteine, Sezione di Scienze Farmacologiche, Via Balzaretti 9, I-20133 Milan, Italy. Electronic address: elisabetta.gianazza@unimi.it.
2
Dipartimento di Scienze Farmacologiche e Biomolecolari, Università degli Studi di Milano, Laboratorio di Biochimica e Biofisica Computazionale, Sezione di Biochimica, Biofisica, Fisiologia ed Immunopatologia, Via Trentacoste, 2, I-20134 Milan, Italy.
3
Institut für Medizinische Biochemie, Veterinärmedizinische Universität Wien, Veterinärplatz 1, A-1210 Vienna, Austria.

Abstract

This review outlines the computational approaches and procedures for predicting post translational modification (PTM)-induced changes in protein conformation and their influence on protein function(s), the latter being assessed as differential affinity in interaction with either low (ligands for receptors or transporters, substrates for enzymes) or high molecular mass molecules (proteins or nucleic acids in supramolecular assemblies). The scope for an in silico approach is discussed against a summary of the in vitro evidence on the structural and functional outcome of protein PTM.

KEYWORDS:

Homology modeling; Molecular docking; Molecular dynamics; Molecular modeling; PTM prediction; Supramolecular assembly

PMID:
26436211
DOI:
10.1016/j.jprot.2015.09.026
[Indexed for MEDLINE]

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