Interaction of monotopic membrane enzymes with a lipid bilayer: a coarse-grained MD simulation study.

Journal article

Monotopic membrane proteins bind tightly to cell membranes but do not generally span the lipid bilayer. Their interactions with lipid bilayers may be studied via coarse-grained molecular dynamics (CG-MD) simulations. Understanding such interactions is important as monotopic enzymes frequently act on hydrophobic substrates, while X-ray structures rarely provide direct information about their interactions with membranes. CG-MD self-assembly simulations enable prediction of the orientation and d...

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Authors: Balali-Mood, K; Bond, P; Sansom, MS

• Publication status: Published
• Journal: Biochemistry
• Volume: 48
• Issue: 10
• Pages: 2135-2145
• Publication date: 2009-03-01
• DOI: 10.1021/bi8017398
• EISSN: 1520-4995
• ISSN: 0006-2960
• Language: English
• Keywords: Transferases; Humans; Membrane Proteins; Isomerases; Models, Molecular; Binding Sites; Animals; Protein Conformation; Enzymes; Lipid Bilayers; Protein Binding; Computer Simulation; Hydrophobic and Hydrophilic Interactions; Static Electricity; Hydrolases; Protein Structure, Secondary; Phospholipids; Oxidoreductases; Databases, Protein