Molecular dynamics simulation of membranes and a transmembrane helix

DOI10.1006/JCPH.1999.6222MaRDI QIDQ1305992zbMATH OpenOpenAlexFDO

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

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)

Recommendations

• Computer simulation studies of biomembranes using a coarse grain model
• Simulating elementary active membranes
• Replica-exchange methods and predictions of helix configurations of membrane proteins
• Parallel molecular dynamics simulation; Implementation of PVM for a lipid membrane
• High-resolution models of motion of macromolecules in cell membranes
• scientific article; zbMATH DE number 1595163
• Modelling and simulations of multi-component lipid membranes and open membranes via diffuse interface approaches

Cited in

(11)

• Nano-scale structure in membranes in relation to enzyme action -- computer simulation vs. experiment
• Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interac\-tion
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
• 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

Describes a project that uses

Uses Software

• CHARMM

This page was built for publication: Molecular dynamics simulation of membranes and a transmembrane helix

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1305992)