TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Drakulić, Branko J.
AU  - Stojić, Dragica Lj.
AU  - Katsaros, N.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6614
AB  - A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.
T2  - Materials Science Forum
T1  - Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems
VL  - 518
SP  - 411
EP  - 416
DO  - 10.4028/www.scientific.net/MSF.518.411
ER  - 

@article{
author = "Sovilj, Sofija P. and Drakulić, Branko J. and Stojić, Dragica Lj. and Katsaros, N.",
year = "2006",
abstract = "A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.",
journal = "Materials Science Forum",
title = "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems",
volume = "518",
pages = "411-416",
doi = "10.4028/www.scientific.net/MSF.518.411"
}

Sovilj, S. P., Drakulić, B. J., Stojić, D. Lj.,& Katsaros, N.. (2006). Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum, 518, 411-416.
https://doi.org/10.4028/www.scientific.net/MSF.518.411

Sovilj SP, Drakulić BJ, Stojić DL, Katsaros N. Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum. 2006;518:411-416.
doi:10.4028/www.scientific.net/MSF.518.411 .

Sovilj, Sofija P., Drakulić, Branko J., Stojić, Dragica Lj., Katsaros, N., "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems" in Materials Science Forum, 518 (2006):411-416,
https://doi.org/10.4028/www.scientific.net/MSF.518.411 . .