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Autori: Panicker C Yohannan

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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 
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  
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 
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 ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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 
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 ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science  
Naslov Vibrational spectroscopic investigations, molecular dynamic simulations and molecular docking studies of N '-diphenytmethylidene-5-methyl-1H-pyrazole-3-carbohydrazide (Article)
Autori Pillai Renjith Raveendran  Menon Vidya V  Mary Shyma Y  Armakovic Stevan  Armakovic Sanja J  Panicker C Yohannan 
Info JOURNAL OF MOLECULAR STRUCTURE, (2017), vol. 1130 br. , str. 208-222
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 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 
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 ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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 
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 ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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 
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 ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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