Autori: Van Alsenoy Christian
| 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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| Naslov | Synthesis, vibrational spectroscopic investigations, molecular docking, antibacterial studies and molecular dynamics study of 5-[(4-nitrophenyl)acetamido]-2-(4-tert-butylphenyl)benzoxazole (Article) |
| Autori | Sheena-Mary Y Al-Shehri Mona M Jalaja K Al-Omary Fatmah AM El-Emam Ali A Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Temiz-Arpaci Ozlem Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1133 br. , str. 557-573 |
| Projekat | Deanship of Scientific Research at King Saud University [RGP-1435-067]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Vibrational spectroscopic analysis of cyanopyrazine-2-carboxamide derivatives and investigation of their reactive properties by DFT calculations and molecular dynamics simulations (Article) |
| Autori | Beegum Shargina Mary Sheena Y Varghese Herria Tresa Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Zitko Jan Dolezal Martin Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1131 br. , str. 1-15 |
| 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 | Studies on the synthesis, spectroscopic analysis, molecular docking and DET calculations on 1-hydroxy-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazol 3-oxide (Article) |
| Autori | Benzon KB Sheena Mary Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Pradhan Kiran Nanda Ashis Kumar Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1130 br. , str. 644-658 |
| 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 |
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| Naslov | Vibrational spectroscopic analysis, molecular dynamics simulations and molecular docking study of 5-nitro-2-phenoxymethyl benzimidazole (Article) |
| Autori | Menon Vidya V Foto Egemen Mary Sheena Y Karatas Esin Panicker C Yohannan Yalcin Gozde Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian Yildiz Ilkay
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1129 br. , str. 86-97 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI1171039, TR 34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations (Article) |
| Autori | War Javeed Ahmad Jalaja K Mary Sheena Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Srivastava Santosh Kumar Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1129 br. , str. 72-85 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI171039, TR 34019]; DST, New Delhi under INSPIRE scheme [IF120399] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Reactive, spectroscopic and antimicrobial assessments of 5-[(4-methylphenyl) acetamido]-2-(4-tert-butylphenyl)benzoxazole: Combined experimental and computational study (Article) |
| Autori | Mary Sheena Y Alzoman Nourah Z Menon Vidya V Al-Abdullah Ebtehal S El-Emam Ali A Panicker C Yohannan Temiz-Arpaci Ozlem Armakovic Stevan Armakovic Sanja J Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 694-706 |
| Projekat | Deanship of Scientific Research at King Saud University [RG-1435-062]; Schrodinger Inc. |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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| Naslov | Synthesis, XRD crystal structure, spectroscopic characterization (FT-IR, H-1 and C-13 NMR), DFT studies, chemical reactivity and bond dissociation energy studies using molecular dynamics simulations and evaluation of antimicrobial and antioxidant activities of a novel chalcone derivative, (E)-1-(4-bromopheny1)-3-(4-iodophenyl)prop-2-en-l-one (Article) |
| Autori | Zainuri D Alwani Arshad Suhana Khalib N Che Razak Ibrahim Abdul Pillai Renjith Raveendran Sulaiman S Fariza Shafiqah Hashim N Ooi K Leong Armakovic Stevan Armakovic Sanja J Panicker C Yohannan Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 520-533 |
| Projekat | Malaysian Government; Universiti Sains Malaysia (USM); Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc.; [1001/PFIZIK/811238]; [1001/PBIOLOGI/813049] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science |
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| Naslov | Spectroscopic characterization of 4[2-(5-Ethylpyridin-2-yl)ethoxy] benzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations (Article) |
| Autori | Jalaja K Mary Sheena Y Panicker C Yohannan Armakovic Stevan Armakovic Sanja J Sagar BK Girisha M Yathirajan HS Van Alsenoy Christian
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| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1128 br. , str. 245-256 |
| Projekat | Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI 171039, TR34019] |
| Ispravka | Web of Science Članak Elečas Rang časopisa Citati: Web of Science Scopus |
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