CrossRef enabled

PAC Archives

Archive →

Pure Appl. Chem., 2004, Vol. 76, No. 1, pp. 189-196

http://dx.doi.org/10.1351/pac200476010189

Derivation of a molecular mechanics force field for cholesterol

Zoe Cournia, A. C. Vaiana, G. M. Ullmann and J. C. Smith

IWR – Computational Molecular Biophysics, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg, Germany

CrossRef Cited-by theme picture

CrossRef Cited-by Linking

  • Ferrer-Tasies Lidia, Moreno-Calvo Evelyn, Cano-Sarabia Mary, Aguilella-Arzo Marcel, Angelova Angelina, Lesieur Sylviane, Ricart Susagna, Faraudo Jordi, Ventosa Nora, Veciana Jaume: Quatsomes: Vesicles Formed by Self-Assembly of Sterols and Quaternary Ammonium Surfactants. Langmuir 2013, 29, 6519. <http://dx.doi.org/10.1021/la4003803>
  • Gzyl-Malcher Barbara, Handzlik Jadwiga, Klekowska Ewelina: Interaction of prazosin with model membranes — A Langmuir monolayer study. Bioelectrochemistry 2012, 87, 96. <http://dx.doi.org/10.1016/j.bioelechem.2011.12.005>
  • Hadley K. R., McCabe C.: A simulation study of the self-assembly of coarse-grained skin lipids. Soft Matt 2012, 8, 4802. <http://dx.doi.org/10.1039/c2sm07204a>
  • Lyubartsev Alexander P., Rabinovich Alexander L.: Recent development in computer simulations of lipid bilayers. Soft Matt 2011, 7, 25. <http://dx.doi.org/10.1039/c0sm00457j>
  • Jolley Craig C., Lucon Janice, Uchida Masaki, Reichhardt Courtney, Vaughn Mary J., Lafrance Ben J., Douglas Trevor: Structure, dynamics, and solvation in a disordered metal–organic coordination polymer: a multiscale study. J Coord Chem 2011, 64, 4301. <http://dx.doi.org/10.1080/00958972.2011.637555>
  • Hadley K.R., McCabe C.: A Structurally Relevant Coarse-Grained Model for Cholesterol. Biophysical Journal 2010, 99, 2896. <http://dx.doi.org/10.1016/j.bpj.2010.08.044>
  • Cromie S. R. T., Ballone P.: Structural motifs of cholesterol nanoparticles. J Chem Phys 2009, 131, 034906. <http://dx.doi.org/10.1063/1.3179683>
  • de Hatten Xavier, Cournia Zoe, Huc Ivan, Smith Jeremy C., Metzler-Nolte Nils: Force-Field Development and Molecular Dynamics Simulations of Ferrocene–Peptide Conjugates as a Scaffold for Hydrogenase Mimics. Chem Eur J 2007, 13, 8139. <http://dx.doi.org/10.1002/chem.200700358>
  • Mondal Sumita, Mukhopadhyay Chaitali: Molecular insight of specific cholesterol interactions: A molecular dynamics simulation study. chem phys letts 2007, 439, 166. <http://dx.doi.org/10.1016/j.cplett.2007.03.068>
  • Cournia Zoe, Smith Jeremy C., Ullmann G. Matthias: A molecular mechanics force field for biologically important sterols. J Comput Chem 2005, 26, 1383. <http://dx.doi.org/10.1002/jcc.20277>
  • Vaiana A.C., Cournia Z., Costescu I.B., Smith J.C.: AFMM: A molecular mechanics force field vibrational parametrization program. Comp Phys Com 2005, 167, 34. <http://dx.doi.org/10.1016/j.cpc.2004.12.005>