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Molecular dynamics simulations of ubiquinone; a survey over torsional potentials and hydrogen bonds
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Biochemistry.
2001 (English)In: MOLECULAR PHYSICS, ISSN 0026-8976, Vol. 99, no 21, 1795-1804 p.Article in journal (Refereed) Published
Abstract [en]

Molecular dynamics simulations, both classical and Car-Parrinello, have been carried out to investigate ubiquinone (UQ), a proton mediator in both oxidative and photo-phosphorylation. The main objectives have been to follow the dynamics of methoxy groups,

Place, publisher, year, edition, pages
TAYLOR & FRANCIS LTD , 2001. Vol. 99, no 21, 1795-1804 p.
Keyword [en]
PHOTOSYNTHETIC REACTION-CENTER; BACTERIAL REACTION CENTERS; DENSITY-FUNCTIONAL THEORY; RHODOBACTER-SPHAEROIDES; HYPERFINE COUPLINGS; RHODOPSEUDOMONAS-VIRIDIS; CONFORMATIONAL-ANALYSIS; MAGNETIC-PROPERTIES; ATOMIC CHARGES; RADICAL-ANION
Identifiers
URN: urn:nbn:se:uu:diva-38027OAI: oai:DiVA.org:uu-38027DiVA: diva2:65926
Note
Addresses: Nilsson JA, Stockholm Univ, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden. Stockholm Univ, Arrhenius Lab, Div Phys Chem, S-10691 Stockholm, Sweden. Uppsala Univ, Dept Biochem, S-75123 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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