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Naslov Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents (Article)
Autori S Al-Otaibi Jamelah  Mary Y Sheena  Mary Y Shyma  Armakovic Sanja J  Armakovic Stevan  Van Alsenoy Christian  Yathirajan HS 
Info JOURNAL OF MOLECULAR LIQUIDS, (2022), vol. 367 br. , str. -
Projekat Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia [PNURSP2022R13]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic investigations, DFT calculations, molecular docking and MD simulations of 3-[(4-Carboxyphenyl) carbamoyl]-4-hydroxy-2-oxo-1, 2-dihydroxy quinoline-6-carboxylic acid (Article)
Autori Ranjith PK  Ignatious Angel  Panicker Yohannan C  Sureshkumar B  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  Anto PL 
Info JOURNAL OF MOLECULAR STRUCTURE, (2022), vol. 1264 br. , str. -
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea (Article)
Autori Bielenica Anna  Beegum Shargina  Sheena Mary Y  Shyma Mary Y  Thomas Renjith  Armakovic Stevan  Armakovic Sanja J  Madeddu Silvia  Struga Marta  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2020), vol. 1205 br. , str. -
Projekat Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study (Article)
Autori Sureshkumar Bhaskaran  Mary Sheena Y  Panicker C Yohannan  Suma Somasekharan  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  Narayana Badiadka 
Info ARABIAN JOURNAL OF CHEMISTRY, (2020), vol. 13 br. 1, str. 632-648
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 Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools (Article)
Autori Beegum Shargina  Sheena Mary Y  Shyma Mary Y  Thomas Renjith  Armakovic Stevan  Armakovic Sanja J  Zitko Jan  Dolezal Martin  Van Alsenoy Christian 
Info SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, (2020), vol. 224 br. , str. -
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential (Article)
Autori Thomas Renjith  Mary Sheena Y  Resmi KS  Narayana Badiadka  Sarojini Baladka K  Armakovic Stevan  Armakovic Sanja J  Vijayakumar G  Van Alsenoy Christian  Mohan BJ 
Info JOURNAL OF MOLECULAR STRUCTURE, (2019), vol. 1181 br. , str. 599-612
Projekat Schrodinger Inc. - Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic, antimicrobial and computational study of novel benzoxazole derivative (Article)
Autori Beegum Shargina  Mary Sheena Y  Panicker C Yohannan  Armakovic Stevan  Armakovic Sanja J  Arisoy Mustafa  Temiz-Arpaci Ozlem  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2019), vol. 1176 br. , str. 881-894
Projekat Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Two novel imidazole derivatives - Combined experimental and computational study (Article)
Autori Smitha M  Mary Sheena Y  Hossain Mossaraf  Resmi KS  Armakovic Stevan  Armakovic Sanja J  Pavithran Rani  Nanda Ashis Kumar  Van Alsenoy Christian 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1173 br. , str. 221-239
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic characterization of hydroxyquinoline derivatives with bromine and iodine atoms and theoretical investigation by DFT calculations, MD simulations and molecular docking studies (Article)
Autori Sureshkumar Bhaskaran  Mary Sheena Y  Resmi KS  Sumo S  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  Narayana Badiadka  Sobhana D 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1167 br. , str. 95-106
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [III41017]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
Naslov Spectroscopic characterization of 8-hydroxy-5-nitroquinoline and 5-chloro-8-hydroxy quinoline and investigation of its reactive properties by DFT calculations and molecular dynamics simulations (Article)
Autori Sureshkumar Bhaskaran  Mary Sheena Y  Suma Somasekharan  Armakovic Stevan  Armakovic Sanja J  Van Alsenoy Christian  Narayana Badiadka  Sasidharan Binil P 
Info JOURNAL OF MOLECULAR STRUCTURE, (2018), vol. 1164 br. , str. 525-538
Projekat Schrodinger Inc.; Ministry of Education, Science and Technological Development of Serbia [OI171039, TR 34019]
Ispravka ISI/Web of Science   Članak   Elečas   Rang časopisa   Citati: ISI/Web of Science   Scopus  
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