Search Result "HyperChem molecular modelling computation DFT"
Computational Molecular Modeling of Compounds from Amaryllidaceae Family as Potential Acetylcholinesterase Inhibitors
Journal: Current Bioactive Compounds
Volume: 13 Issue: 2 Year: 2017 Page: 121-129
Author(s): Maiara de F. de B. Brito,Jaderson V. Ferreira,Lucilene R. de Souza,Laira R.P. Gemaque,Kessia P.A. Sousa,Cesar F. dos Santos,Francinaldo S. Braga,Larissa Pernomian,Carlos H.T.P. da Silva,Cleydson B.R. Santos,Carlton A. Taft,Lorane I.S. Hage-Melim
Selenium and Computational Studies
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 21 Issue: 14 Year: 2021 Page: 1865-1887
Author(s): Natália Ferreira de Sousa,Luciana Scotti,Eugene N. Muratov,Marcus Tullius Scotti
Rational Design of Antimalarial Drugs Using Molecular Modeling and Statistical Analysis
Journal: Current Pharmaceutical Design
Volume: 21 Issue: 28 Year: 2015 Page: 4112-4127
Author(s): Cleydson Breno Rodrigues dos Santos,Cleison Carvalho Lobato,Francinaldo Sarges Braga,Josivan da Silva Costa,Hugo Alexandre Silva Favacho,Jose Carlos Tavares Carvalho,Williams Jorge da Cruz Macedo,Davi Do Socorro Barros Brasil,Carlos Henrique Tomich de Paula da Silva,Lorane Izabel da Silva Hage-Melim
Extraction of Cu2+ Ions from Aqueous Solutions of Bromide Ions using 1-Phenyl-3-Methyl-4-Trichloroacetylpyrazolone-5 and Molecular Modeling of the Complex
Journal: Recent Patents on Materials Science
Volume: 5 Issue: 1 Year: 2012 Page: 68-73
Author(s): Chukwu U. John, Uzoukwu B. Augustus
Synthesis, Physico-Chemical Properties and DFT Calculations of New 2-(4- Arylpiperazine-1-yl)-1-(3-ethylbenzofuran-2-yl)ethanols As Potential Antihypertensive Agents
Journal: Current Organic Chemistry
Volume: 15 Issue: 7 Year: 2011 Page: 1081-1096
Author(s): Zuzana Mandelova, Radka Opatrilova, Ivan Raich, Jaroslav Havlicek, Sandra Kacerova, Tomas Pekarek, Marcela Tkadlecova, Petra Staskova, Jiri Dohnal, Jozef Csollei, Josef Jampilek
Molecular Modeling and Cyclodextrins: A Relationship Strengthened By Complexes
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 715-729
Author(s): E. A. Castro, D. A. J. Barbiric
Fullerene Derivative as Anti-HIV Protease Inhibitor: Molecular Modeling and QSAR Approaches
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 447-451
Author(s): M. Ibrahim,N. A. Saleh,W. M. Elshemey,A. A. Elsayed
Synthesis, Characterization and Physico-chemical Properties of New 2-(4- Arylpiperazine-1-yl)-1-(3-methylbenzofuran-2-yl)ethanoles as Potential Antihypertensive Agents
Journal: Current Organic Chemistry
Volume: 13 Issue: 1 Year: 2009 Page: 965-975
Author(s): Radka Opatrilova, Josef Jampilek, Ivan Raich, Sandra Kacerova, Jaroslav Havlicek, Tomas Pekarek, Jiri Dohnal, Jozef Csollei
Estimation of Human Carbonic Anhydrase II Inhibition Using Topological Indices and their Combination with Quantum-Theoretical Descriptors
Journal: Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2008 Page: 30-66
Author(s): Padmakar V. Khadikar, Jyoti Singh, Shalini Singh, Rajika Mishra, Claudiu T. Supuran, Brian W. Clare, Meenakshi Lakhwani