Autori: Armakovic Stevan
| Naslov | Synthesis, XRD crystal structure, spectroscopic characterization, local reactive properties using DFT and molecular dynamics simulations and molecular docking study of (E)-1-(4-bromophenyl)-3-(4-(trifluoromethoxy)phenyl)prop-2-en-1-one (Article) |
| Autori | Arshad Suhana Pillai Renjith Raveendran Zainuri Dian Alwani Khalib Nuridayanti Che Razak Ibrahim Abdul Armakovic Stevan Armakovic Sanja J Renjith Rishikesh Panicker C Yohannan Van Alsenoy Christian |
| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1137 br. , str. 419-430 |
| Projekat | Malaysian Government [1001/PFIZIK/811238]; Universiti Sains Malaysia [1001/PFIZIK/811238]; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc. |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | FT-IR and FT-Raman characterization and investigation of reactive properties of N-(3-iodo-4-methylphenyl)pyrazine-2-carboxamide by molecular dynamics simulations and DFT calculations (Article) |
| Autori | Ranjith PK Al-Abdullah Ebtehal S Al-Omary Fatmah AM El-Emam Ali A Anto PL Sheena Mary Y Armakovic Stevan Armakovic Sanja J Zitko Jan Dolezal Martin Van Alsenoy Christian |
| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1136 br. , str. 14-24 |
| Projekat | Deanship of Scientific Research at King Saud University [RG1435-062]; Schrodinger Inc. |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterization, reactivity study by DFT and MD approaches and molecular docking study of a novel chalcone derivative (Article) |
| Autori | Arshad Suhana Pillai Renjith Raveendran Zainuri Dian Alwani Khalib Nuridayanti Che Razak Ibrahim Abdul Armakovic Stevan Armakovic Sanja J Panicker C Yohannan Van Alsenoy Christian |
| Info | JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1135 br. , str. 234-246 |
| Projekat | Research University [1001/PFIZIK/811238]; Malaysian Government; Ministry of Education, Science and Technological Development of Serbia [ON171039, TR34019]; Schrodinger Inc. |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| 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, 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science |
| 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| 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 |
| 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 | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
