Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions
<p>Close apposition of membranes is a frequent occurrence in biological systems,and one of considerable physiological and pathological significance. The geo-metric and compositional complexity of such associations, and in some casestheir transient and/or rare occurrence, makes them challenging...
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| Materiálatiipa: | Oahppočájánas |
| Giella: | English |
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2021
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| _version_ | 1826290218157735936 |
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| author | Jefferys, V |
| author2 | Sansom, M |
| author_facet | Sansom, M Jefferys, V |
| author_sort | Jefferys, V |
| collection | OXFORD |
| description | <p>Close apposition of membranes is a frequent occurrence in biological systems,and one of considerable physiological and pathological significance. The geo-metric and compositional complexity of such associations, and in some casestheir transient and/or rare occurrence, makes them challenging to study ex-perimentally, and necessitates a multidisciplinary approach to their investiga-tion. Molecular dynamics (MD) simulations have considerable potential toform part of the toolkit for studying membrane interactions, being able to pro-vide molecular-level insight into the time-dependent behaviour of biologicalsystems. However, there at present is no standard approach to prepare and sim-ulate membrane-membrane interactions for MD simulations. In this work, Ipresent progress towards the development of methods that could prove valuablein preparing simulation systems for this purpose.</p> |
| first_indexed | 2024-03-07T02:40:48Z |
| format | Thesis |
| id | oxford-uuid:aa63452c-4dd5-440d-a5e8-83c58755e940 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T02:40:48Z |
| publishDate | 2021 |
| record_format | dspace |
| spelling | oxford-uuid:aa63452c-4dd5-440d-a5e8-83c58755e9402022-03-27T03:14:48ZTowards molecular simulations of glycans, glycoproteins, and membrane-membrane interactionsThesishttp://purl.org/coar/resource_type/c_db06uuid:aa63452c-4dd5-440d-a5e8-83c58755e940BiochemistryComputer simulationMembrane proteinsEnglishHyrax Deposit2021Jefferys, VSansom, MZitzmann, NKhalid, S<p>Close apposition of membranes is a frequent occurrence in biological systems,and one of considerable physiological and pathological significance. The geo-metric and compositional complexity of such associations, and in some casestheir transient and/or rare occurrence, makes them challenging to study ex-perimentally, and necessitates a multidisciplinary approach to their investiga-tion. Molecular dynamics (MD) simulations have considerable potential toform part of the toolkit for studying membrane interactions, being able to pro-vide molecular-level insight into the time-dependent behaviour of biologicalsystems. However, there at present is no standard approach to prepare and sim-ulate membrane-membrane interactions for MD simulations. In this work, Ipresent progress towards the development of methods that could prove valuablein preparing simulation systems for this purpose.</p> |
| spellingShingle | Biochemistry Computer simulation Membrane proteins Jefferys, V Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title | Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title_full | Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title_fullStr | Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title_full_unstemmed | Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title_short | Towards molecular simulations of glycans, glycoproteins, and membrane-membrane interactions |
| title_sort | towards molecular simulations of glycans glycoproteins and membrane membrane interactions |
| topic | Biochemistry Computer simulation Membrane proteins |
| work_keys_str_mv | AT jefferysv towardsmolecularsimulationsofglycansglycoproteinsandmembranemembraneinteractions |