Computer modelling of glycolipids at membrane surfaces.

Abstract:

:Interactions of membrane anchored molecules such as glycolipids with a membrane surface are important in determining headgroup conformation. It is therefore essential to represent these membrane surface interactions in molecular modeling studies of glycolipids and other membrane bound molecules. We introduce here an energy term that represents the interaction of molecules with a membrane bilayer. This membrane interaction energy term has been added to the potential energy function of a molecular dynamics and mechanics program and has been parameterized using partition coefficients between an aqueous solution and a vesicular membrane for two model glycolipids.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Ram P,Kim E,Thomson DS,Howard KP,Prestegard JH

doi

10.1016/S0006-3495(92)81729-0

subject

Has Abstract

pub_date

1992-12-01 00:00:00

pages

1530-5

issue

6

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(92)81729-0

journal_volume

63

pub_type

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