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The structure of trans-[Cu(cip)2(OH)2] and DNA optimized considering charged embedding of MM part in QM part in the gas phase.
(A) Molecular docking of the Ni(II) complex with the major groove side of DNA by UCSF chimera, (B) two-dimensional interactions generated by LIGPLOT+.
(A)(A)tThe Ni(II) complex docked in the binding pocket of BSA using MVD. The complex depicted in a stick model, and the BSA represented in a wireframe model, (B) two-dimensional interactions generated by LIGPLOT+.
(A) Perspective of molecular docking of the Cu(II) complex with the major groove side of DNA by MVD chimera, (B) two-dimensional interactions generated by LIGPLOT+.
(A) Perspective of molecular docking of the Ni(II) complex with the major groove side of DNA by UCSF chimera, (B) two-dimensional interactions generated by LIGPLOT+.
(A) Molecular docking perspective of the Ru (II) complex with the major groove side of DNA using MVD. The complex depicted in a stick model, and DNA, represented in a wireframe model, (B) two-dimensional interactions generated by LIGPLOT.
(A) (A)tThe docked trans-[Cu(Pir)2(THF)2] complex in the binding pocket of BSA using MVD. The complex is depicted in a stick model, with BSA represented in a wireframe model; (B) two-dimensional interactions generated by LIGPLOT+.
(A) The docked trans-[Co(Mel)2(EtOH)2] complex in the binding pocket of BSA using MVD. The complex is depicted in a stick model, with BSA represented in a wireframe model; (B) two-dimensional interactions generated by LIGPLOT+.
(A) (A)tA molecular docking perspective of trans-[Cu(Pir)2(THF)2] with the major groove of DNA using UCSF Chimera. The complex is depicted in a stick model, and DNA is represented in a wireframe model; (B) two-dimensional interactions generated byLIGPLOT+
The effect of Zn-arginine [Zn(Arg)2] (left) on the growth of two lettuce cultivars in comparison with ZnSO¬4 (right)
The optimized structures of free CO2 and Int6 in the gas phase. The bond lengths are in angstroms
Recent Conference Papers
Recent Crystal Structures
Open Positions
Dr. M. Daryanavard(2013-2014)