Search Result "HyperChem molecular modelling computation DFT"


Research Article

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

Review Article

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

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 8 Year: 2013 Page: 590-602
Author(s): Sanchaita Rajkhowa, Iftikar Hussain, Kalyan K. Hazarika, Pubalee Sarmah, Ramesh Chandra Deka

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

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