Autori: Mary Sheena Y
| 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
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| 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 | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Insight into the reactive properties of newly synthesized 1,2,4-triazole derivative by combined experimental (FT-IR and FR-Raman) and theoretical (DFT and MD) study (Article) |
| Autori | Mary Sheena Y Al-Omary Fatmah AM Mostafa Gamal AE El-Emam Ali A Manjula PS Sarojini Baladka K Narayana Badiadka Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1141 br. , str. 542-550 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-067]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Modification of benzoxazole derivative by bromine-spectroscopic, antibacterial and reactivity study using experimental and theoretical procedures (Article) |
| Autori | Aswathy VV Alper-Hayta Sabiha Yalcin Gozde Mary Sheena Y Panicker C Yohannan Jojo PJ Kaynak-Onurdag Fatma Armakovic Stevan Armakovic Sanja J Yildiz Ilkay Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1141 br. , str. 495-511 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [01171039, TR 34019]; Ankara University [16H0237002] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Towards the new heterocycle based molecule: Synthesis, characterization and reactivity study (Article) |
| Autori | Murthy Krishna P Mary Sheena Y Suneetha V Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Giri L Suchetan PA Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1137 br. , str. 589-605 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches (Article) |
| Autori | Ranjith PK Mary Sheena Y Panicker Yohannan C Anto PL Armakovic Stevan Armakovic Sanja J Musiol Robert Jampilek Josef Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1135 br. , str. 1-14 |
| Projekat | schrodinger Inc; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019]; NCN [2013/09/B/NZ/00423]; Slovak Research and Development Agency [APVV-0516-12] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study (Article) |
| Autori | El-Azab Adel S Mary Shyma Y Mary Sheena Y Panicker C Yohannan Abdel-Aziz Alaa A-M Mohamed Menshawy A Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 863-881 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-046]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Newly synthesized dihydroquinazoline derivative from the aspect of combined spectroscopic and computational study (Article) |
| Autori | El-Azab Adel S Mary Sheena Y Mary Sheena Y Panicker C Yohannan Abdel-Aziz Alaa A-M El-Sherbeny Magda A Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 814-827 |
| Projekat | Deanship of Scientific Research at King Saud University [RGP-163]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| 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
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| 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 | Web of Science Članak Elečas Rang časopisa Citati: Web of Science |
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| Naslov | Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxypheny1)-4,5-dimethyl-imidazole 3-oxide (Article) |
| Autori | Benzon KB Mary Sheena Y Varghese Hema Tresa Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Pradhan Kiran Kumar-Nanda Ashis Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 330-344 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019, 2016-2019/20] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science |
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| Naslov | Synthesis, crystal structure analysis, spectral investigations, DFT computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent (Article) |
| Autori | Murthy Krishna P Mary Sheena Y Mary Sheena Y Panicker C Yohannan Suneetha V Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian Suchetan PA
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1134 br. , str. 25-39 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR 34019, 2016-2019/20] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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