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Dostęp zamkniętyExplicit-Solvent All-Atom Molecular Dynamics of Peptide Aggregation
| cris.lastimport.scopus | 2024-02-12T20:54:34Z |
| dc.abstract.en | Recent advances in computational technology have allowed us to sim2 ulate biomolecular processes on timescales that begin to reach the rates of peptide 3 aggregation phenomena.Molecular dynamics simulations have evolved into amature 4 technique to the extent that they can be employed as a highly productive tool to gain 5 meaningful insights into the structure, dynamics and molecular mechanisms of pro6 tein aggregation. In this chapter, we describe the basics of explicit solvent all-atom 7 molecular dynamics simulations and its applications for studying early stages of 8 aggregation processes of two short pentapeptides: KLVFF and FVFLM, related to 9 Alzheimer’s disease and preeclampsia, respectively. We focus on certain important 10 problems in the field of protein aggregation that explicit solvent all-atom molecular 11 dynamics simulation studies could resolve. This includes how fibril formation rates 12 depend on a number of factors such as the presence of short peptides and popula13 tion of fibril-prone conformations. Specific applications of atomistic simulations in 14 explicit solvent to address these two issues are discussed. |
| dc.affiliation | Uniwersytet Warszawski |
| dc.contributor.author | Kouza, Maksim |
| dc.contributor.author | Koliński, Andrzej |
| dc.contributor.author | Kloczkowski, Andrzej |
| dc.contributor.author | Buhimschi, Irina Alexandra |
| dc.date.accessioned | 2024-01-28T20:28:54Z |
| dc.date.available | 2024-01-28T20:28:54Z |
| dc.date.issued | 2019 |
| dc.description.finance | Nie dotyczy |
| dc.identifier.doi | 10.1007/978-3-319-95843-9_16 |
| dc.identifier.uri | https://repozytorium.uw.edu.pl//handle/item/152929 |
| dc.language | eng |
| dc.pbn.affiliation | chemical sciences |
| dc.publisher.ministerial | Springer |
| dc.relation.book | Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes |
| dc.relation.pages | 541-558 |
| dc.rights | ClosedAccess |
| dc.sciencecloud | nosend |
| dc.title | Explicit-Solvent All-Atom Molecular Dynamics of Peptide Aggregation |
| dc.type | MonographChapter |
| dspace.entity.type | Publication |