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Molecular docking of trans-[Cu(cip)2(OH)2] with DNA (A) and BSA (B).
(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) 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+.
The schematic representation of HOMOs of the species in the proposed mechanism for the electrocatalytic reduction of CO2 by the Ru(II) complex.
The schematic representation of LUMOs of the species in the proposed mechanism for electrocatalytic reduction of CO2 by the Ru(II) complex.
Schematic representation of the calculated molecular-orbitals in CO22– (bent geometry) with their energy levels (eV).
(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)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+
Molecular docking of the complex with DNA (A) and BSA (B)
(a) Molecular docking of the Rh(III) complex with DNA. (b) The bases of DNA with dominant interactions with the complex in the active site
Recent Crystal Structures
Conference Papers