| Crosbi ID | 826693 |
| Year | 2024 |
| Status | Objavljeno |
| Type | prilog sa skupa (u zborniku) |
| Subtype | sažetak izlaganja sa skupa |
| Authors | Gomaz, Boris; Pandini, Alessandro; Maršavelski, Aleksandra; Štefanić, Zoran |
| Parent journal | Hot Topics in Contemporary Crystallography 6 (HTCC 6) - Advanced macromolecular crystallography workshop: Programme Book |
| Pages | str. 59-59 |
| ISBN | - |
| Publisher | Croatian Association of Crystallographers |
| Place | Zagreb |
en original Computational analysis of purine nucleoside phosphorylase dynamics
Proteins, the fundamental participants in all cellular processes, exhibit intricate dynamics crucial for their diverse functionalities. This study delves into understanding the dynamic behaviour of proteins using advanced molecular dynamics simulations and computational analysis techniques. Focusing on hexameric purine nucleoside phosphorylase (PNP) from Helicobacter pylori, a key enzyme in nucleotide metabolism, [1] we investigate the allosteric communication pathways within its oligomeric structure. By employing a combination of structural bioinformatics, molecular dynamics simulations, and data mining algorithms, [2] we aim to unravel the complex interplay of conformational changes and correlated motions governing PNP function. Our research not only contributes to elucidating the allosteric regulation mechanisms in PNP enzymes but also provides insights into general principles of protein dynamics and function.
en original Helicobacter pylori ; Purine nucleoside phosphorylase ; Python
Gomaz, Boris; Pandini, Alessandro; Maršavelski, Aleksandra; Štefanić, Zoran Computational analysis of purine nucleoside phosphorylase dynamics // Hot Topics in Contemporary Crystallography 6 (HTCC 6) - Advanced macromolecular crystallography workshop: Programme Book / Bjelopetrović, Alen (ur.). Zagreb: Croatian Association of Crystallographers, 2024. str. 59-59