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...

詳細記述

書誌詳細
第一著者: Jefferys, V
その他の著者: Sansom, M
フォーマット: 学位論文
言語:English
出版事項: 2021
主題:
その他の書誌記述
要約:<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>