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Naslov 4-[(4-Acetylphenyl)amino]-2-methylidene-4-oxobutanoic acid, a newly synthesized amide with hydrophilic and hydrophobic segments: Spectroscopic characterization and investigation of its reactive properties (Article)
Autori Mary Sheena Y  Al-Abdullah Ebtehal S  Aljohar Haya I  Narayana Badiadka  Nayak Prakash S  Sarojini Baladka K  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  El-Emam Ali A 
Info JOURNAL OF THE SERBIAN CHEMICAL SOCIETY, (2018), vol. 83 br. 1, str. 1-18
Projekat Deanship of Scientific Research at King Saud University [RG-1435-062]; Schrodinger Inc.
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study (Article)
Autori Hossain Mossaraf  Thomas Renjith  Mary Sheena Y  Resmi KS  Armakovic Stevan  Armakovic Sanja J  Nanda Ashis Kumar  Vijayakumar G  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1158 br. , str. 176-196
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations (Article)
Autori Thomas Renjith  Hossain Mossaraf  Mary Sheena Y  Resmi KS  Armakovic Stevan  Armakovic Sanja J  Nanda Ashis Kumar  Ranjan Vivek Kumar  Vijayakumar G  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1158 br. , str. 156-175
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic analysis of 8-hydroxyquinoline derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations (Article)
Autori Sureshkumar Bhaskaran  Mary Sheena Y  Resmi KS  Panicker C Yohannan  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  Narayana Badiadka  Suma Somasekharan 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1156 br. , str. 336-347
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
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 Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations (Article)
Autori Sureshkumar Bhaskaran  Mary Sheena Y  Panicker C Yohannan  Resmi KS  Suma Somasekharan  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1150 br. , str. 540-552
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Supramolecular architecture of 5-bromo-7-methoxy-1-methyl-1H-benzoimidazole center dot 3H(2)O: Synthesis, spectroscopic investigations, DFT computation, MD simulations and docking studies (Article)
Autori Murthy Krishna P  Smitha M  Mary Sheena Y  Armakovic Stevan  Armakovic Sanja J  Rao R Sreenivasa  Suchetan PA  Giri L  Pavithran Rani  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1149 br. , str. 602-612
Projekat UGC [3797]; Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [01171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science  
Naslov Synthesis, XRD single crystal structure analysis, vibrational spectral analysis, molecular dynamics and molecular docking studies of 2-(3-methoxy-4-hydroxyphenyl) benzothiazole (Article)
Autori Devi A Sarau  Aswathy VV  Mary Sheena Y  Panicker C Yohannan  Armakovic Stevan  Armakovic Sanja J  Ravindran Reena  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1148 br. , str. 282-292
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Investigation of reactive and spectroscopic properties of oxobutanoic acid derivative: Combined spectroscopic, DFT, MD and docking study (Article)
Autori Mary Shyma Y  Mary Shyma Y  Panicker C Yohannan  Armakovic Stevan  Armakovic Sanja J  Narayana Badiadka  Sarojini Baladka K  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1148 br. , str. 266-275
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [01171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Conformational, vibrational and DFT studies of a newly synthesized arylpiperazine-based drug and evaluation of its reactivity towards the human GABA receptor (Article)
Autori Onawole AT  Al-Ahmadi AF  Mary Sheena Y  Panicker C Yohannan  Ullah N  Armakovic Sanja J  Armakovic Sanja J  Van Alsenoy Christian  Al-Saadi Abdulaziz A 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1147 br. , str. 266-280
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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