Molecular Modeling: Deciphering the Structural Stability of Human Collagen - Softcover

Oliveira, Jonas; Fulco, Umberto; Albuquerque, Eudenilson

 
9786207759118: Molecular Modeling: Deciphering the Structural Stability of Human Collagen
Softcover
ISBN 10: 6207759117 ISBN 13: 9786207759118
Verlag: Our Knowledge Publishing, 2024

Inhaltsangabe

In this work, the stability of the homotrimeric peptide T3-785, a representative model of human collagen, was described in energetic terms using the molecular fractionation with conjugated caps (MFCC) technique and within the scope of density functional theory (DFT). It was possible to predict the individual relevance of the amino acids Pro, Hyp, Gly, Ile, Thr, Gly, Ala, Arg, Gly, Leu and Ala, the consequent importance of the triads Pro-Hyp-Gly, Ile-Thr-Gly, Ala-Arg-Gly and Leu-Ala-Gly, and finally the influence of the N-terminal, Central and C-terminal zones of each chain in maintaining the integrity of the collagen triple helix. To make this possible, the forces of attraction and repulsion of the 90 residues that make up the system were calculated. Each of these residues had an interaction energy that varied depending on the chemical nature of its side chain, the microsolvation environment surrounding it and the intermolecular contacts it established. The pioneering study of the conformational stability in energetic terms of a free region of imino acids will encourage research focused on the development and synthesis of high-stability artificial collagens by Bioengineering.

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Über die Autorin bzw. den Autor

Jonas Oliveira - Professore presso il Dipartimento di Biofisica e Farmacologia dell'Università Federale di Rio Grande do Norte. Ricercatore in Bioinformatica, Immunoinformatica e Modellazione Molecolare di sistemi biologici.

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Verlag
Our Knowledge Publishing
Erscheinungsdatum
2024
Sprache
Englisch
ISBN 10 
6207759117
ISBN 13 
9786207759118
Einband
Taschenbuch
Anzahl der Seiten
84
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1039
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