Molecular dynamics simulation of membranes and a transmembrane helix

<a class="pub-badge pub-badge--doi" href="https://doi.org/10.1006/JCPH.1999.6222" rel="nofollow">DOI 10.1006/JCPH.1999.6222</a><a class="pub-badge pub-badge--grey" href="https://zbmath.org/0977.92010" rel="nofollow">zbMATH</a><a class="pub-badge pub-badge--grey" href="https://openalex.org/works/W2002801210" rel="nofollow">OpenAlex</a><a class="pub-badge pub-badge--mardi" href="https://portal.mardi4nfdi.de/wiki/Item:Q1305992" rel="nofollow">MaRDI QID Q1305992</a><a class="pub-badge pub-badge--grey" href="https://fdo.portal.mardi4nfdi.de/fdo/Q1305992" rel="nofollow">FDO</a>

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)

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Cited in

(11)

• Molecular dynamics study of the interaction of a shock wave with a biological membrane
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• Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interac\-tion
• Impact of temperature and pH value on the stability of hGHRH: an MD approach
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
• Replica-exchange methods and predictions of helix configurations of membrane proteins
• Nano-scale structure in membranes in relation to enzyme action -- computer simulation vs. experiment
• The mechanism of pulsed electric field (PEF) targeting location on the spatial conformation of pine nut peptide
• Conformations of terminal sialyloligosaccharide fragments -- a molecular dynamics study
• Estimating the profile of the mean force potential for transmembrane transport of a water molecule by the umbrella sampling method

Describes a project that uses

Uses Software

• CHARMM

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