Molecular dynamics simulation of membranes and a transmembrane helix

DOI10.1006/JCPH.1999.6222zbMATH Open0977.92010OpenAlexW2002801210MaRDI QIDQ1305992FDOQ1305992

Authors: Tap Ha Duong, Ernest L. Mehler, Harel Weinstein 

Publication date: 17 February 2000

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1999.6222

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zbMATH Keywords

simulationsnuclear magnetic resonancehelical protein domainhuman serotoninmembrane patch

Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Probabilistic models, generic numerical methods in probability and statistics (65C20) Biophysics (92C05)

Cited In (11)

• Nano-scale structure in membranes in relation to enzyme action -- computer simulation vs. experiment
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
• Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interac\-tion
• Estimating the profile of the mean force potential for transmembrane transport of a water molecule by the umbrella sampling method
• Steered molecular dynamics simulations of cobra cytotoxin interaction with zwitterionic lipid bilayer: no penetration of loop tips into membranes
• Molecular dynamics study of the interaction of a shock wave with a biological membrane
• Conformations of terminal sialyloligosaccharide fragments -- a molecular dynamics study
• The mechanism of pulsed electric field (PEF) targeting location on the spatial conformation of pine nut peptide
• Replica-exchange methods and predictions of helix configurations of membrane proteins
• Impact of temperature and pH value on the stability of hGHRH: an MD approach
• MOLECULAR DYNAMICS SIMULATIONS OF DMPC/DPPC MIXED BILAYERS

Uses Software

• CHARMM

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