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Naslov Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations (Article)
Autori Mary Sheena Y  Mary Shyma Y  Bielenica Anna  Armakovic Stevan  Armakovic Sanja J  Chandramohan Vivek  Dammalli Manjunath 
Info JOURNAL OF MOLECULAR MODELING, (2021), vol. 27 br. 8, str. -
Projekat Ministry of Education, Science and Technological Development, Serbia [451-03-68/2020-14/200125]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea (Article)
Autori Bielenica Anna  Beegum Shargina  Sheena Mary Y  Shyma Mary Y  Thomas Renjith  Armakovic Stevan  Armakovic Sanja J  Madeddu Silvia  Struga Marta  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2020), vol. 1205 br. , str. -
Projekat Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Combined spectroscopic, DFr, TD-DFT and MD study of newly synthesized thiourea derivative (Article)
Autori Menon Vidya V  Mary Sheena Y  Mary Sheena Y  Panicker C Yohannan  Bielenica Anna  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1155 br. , str. 184-195
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science  
Naslov Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichloropheny1)-3[3-(trifluoromethyl)phenyl] thiourea (ANF-6): Combined experimental and computational study (Article)
Autori Aswathy VV  Mary Sheena Y  Jojo PJ  Panicker C Yohannan  Bielenica Anna  Armakovic Stevan  Armakovic Sanja J  Brzozka Paulina  Krukowski Sylwester  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 668-680
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science  
Naslov Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (Article)
Autori Mary Sheena Y  Aswathy VV  Panicker C Yohannan  Bielenica Anna  Brzozka Paulina  Savczenko Oleksandra  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian 
Info RSC Advances, (2016), vol. 6 br. 113, str. 111997-112015
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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