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Publications
1)
X. de Hatten,
Z. Cournia, J.C. Smith and N. Metzler-Nolte, “Towards
Synthetic Hydrogenase Mimicry: Force-Field Development and Molecular
Dynamics
Simulations of Novel Ferrocene-Bearing Peptides”, manuscript in
preparation 2)
Z. Cournia,
J.C. Smith and G.M. Ullmann, “Differential Effects of Cholesterol,
Ergosterol and Lanosterol in a Dipalmitoyl Phosphatidylcholine (DPPC)
membrane:
A Molecular Dynamics Simulation Study”, J. Phys. Chem. B (2006),
accepted for publication 3)
Z. Cournia,
J.C. Smith and G.M. Ullmann, “A molecular mechanics
force-field for biologically-important sterols”, J.Comp.Chem., 26 (2005),
pp.1383-1399 4)
Z.
Cournia, G.M. Ullmann and J.C. Smith, “Development and Validation of
a Force-Field for Biologically-Important Sterols in Biomembranes”,
Lecture Series on Computer and Computational Sciences, Brill Academic
Publishers, Leiden, 4 (20054), pp.949-953 4)
A.C.
Vaiana, Z. Cournia, I.B.Costescu and J.C.Smith, “AFMM: A molecular
mechanics
force-field vibrational parametrization program”, Computer Physics
Communications, 167 (2005), pp.34-42 5)
Z.
Cournia, G.M. Ullmann and J.C. Smith, “Molecular Dynamics of
Cholesterol in
Biomembranes”, Lecture Series on Computer and Computational
Sciences, VSP
International Science Publishers, 1 (2004), pp.131-135 6)
Z. Cournia,
A.C. Vaiana, J.C. Smith, G.M. Ullmann, “Derivation
of a Molecular Mechanics Force-Field for Cholesterol”, Pure
Appl.Chem., 76
(2004), pp.189-196 7)
J.C. Smith,
Z. Cournia, A.Taly, A.L. Tournier,
D.Mihailescu, G.M. Ullmann, “Conformational Changes in Proteins and
Membranes”, In: Novel Approaches to the Structure and
Dynamics of
Liquids: Experiments, Theories and Simulations. Eds. J. Samios,
V.A.Durov,
Kluwer Academic Publishers, 8) Z. Cournia, “Is NGC 1938 and NGC 1939 a binary cluster?”, Acta Physica Polonica A“, (1995) 88, Supplement, S-23, pp.1-11 |