A minimum set of stable blocks for rational design of polypeptide chains Running head: A set of stable blocks for protein rational design / Alexei Nekrasov    

Public ISBD Faire une suggestion d'achat Titre : A minimum set of stable blocks for rational design of polypeptide chains Running head: A set of stable blocks for protein rational design Type de document : document électronique Auteurs : Alexei Nekrasov, Auteur ; Ludmila Alekseeva, Auteur ; Rudolf A. Pogosyan, Auteur ; Dmitry Dolgikh ; Anastasia Anashkina, Auteur Editeur : Elsevier Année de publication : 2019 Autre Editeur : arXiv Note générale : Volume 160, pp.88-92 Langues : Anglais (eng) Catégories : 572 Biochimie Tags : 'Quantitative Methods (q-bio.QM)  Biomolecules (q-bio.BM)  Protein structures  Peptides  Protein dynamics  Molecular dynamics  Stable conformations  Local protein conformations' Index. décimale : 572 Résumé : The aim of this work was to find a minimal set of structurally stable pentapeptides, which allows forming a polypeptide chain of a required 3D structure. To search for factors that ensure structural stability of the pentapeptide, we generated peptide sequences with no more than three functional groups, based on the alanine pentapeptide AAAAA. We analyzed 44,860 structures of peptides by the molecular dynamics method and found that 1,225 pentapeptides over 80% of the simulation time were in a stable conformation. Clustering of these conformations revealed 54 topological types of conformationally stable pentapeptides. These conformations relate to different combined elements of the protein secondary structure. So, we obtained a minimal set of amino acid structures of conformationally stable pentapeptides, creating a complete set of different topologies that ensure the formation of pre-folded conformation of protein structures. En ligne : https://arxiv.org/abs/1908.05126 Format de la ressource électronique : PDF A minimum set of stable blocks for rational design of polypeptide chains Running head: A set of stable blocks for protein rational design [document électronique] / Alexei Nekrasov, Auteur ; Ludmila Alekseeva, Auteur ; Rudolf A. Pogosyan, Auteur ; Dmitry Dolgikh ; Anastasia Anashkina, Auteur . - Elsevier : arXiv, 2019. Volume 160, pp.88-92 Langues : Anglais (eng) Catégories : 572 Biochimie Tags : 'Quantitative Methods (q-bio.QM)  Biomolecules (q-bio.BM)  Protein structures  Peptides  Protein dynamics  Molecular dynamics  Stable conformations  Local protein conformations' Index. décimale : 572 Résumé : The aim of this work was to find a minimal set of structurally stable pentapeptides, which allows forming a polypeptide chain of a required 3D structure. To search for factors that ensure structural stability of the pentapeptide, we generated peptide sequences with no more than three functional groups, based on the alanine pentapeptide AAAAA. We analyzed 44,860 structures of peptides by the molecular dynamics method and found that 1,225 pentapeptides over 80% of the simulation time were in a stable conformation. Clustering of these conformations revealed 54 topological types of conformationally stable pentapeptides. These conformations relate to different combined elements of the protein secondary structure. So, we obtained a minimal set of amino acid structures of conformationally stable pentapeptides, creating a complete set of different topologies that ensure the formation of pre-folded conformation of protein structures. En ligne : https://arxiv.org/abs/1908.05126 Format de la ressource électronique : PDF

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