Search Result "Molecular docking and DFT."
Computational Aspects of Organochlorine Compounds: DFT Study and Molecular Docking Calculations
Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196986123010009
Synthesis of Piperidine Conjugated Dihydroquinazolin-4(1H)-ones and their Antiproliferative Activity, Molecular Docking Studies and DFT Calculations
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 1 Year: 2020 Page: 85-93
Author(s): Kereyagalahally Honneshappa Narasimhamurthy,Chandra,Toreshettahally Ramesh Swaroop,Swamy Jagadish,Kanchugarakoppal Subbegowda Rangappa
DFT, FMO, ESP, Molecular Docking and Molecular Dynamics Simulationsof Bis-2-(2-Phenethyl)Chromone as a Potential PPAR Agonist
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 7 Year: 2023 Page: 678-687
Author(s):
Virtual Screening of Phytochemicals in Search of a Potential Drug Candidate for COVID-19: DFT Study and Molecular Docking
Ebook: COVID-19: Origin, Impact and Management (Part 2)
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815165944123010012
Comparative Study of Aromatase Enzyme Inhibition by Synthetic and Natural Ligand: Molecular Modeling and Conceptual DFT Investigation
Journal: Current Enzyme Inhibition
Volume: 14 Issue: 2 Year: 2018 Page: 104-113
Author(s): Mesli Fouzia,Missoum Noureddine,Ghomri Amina,Ghalem Said
DFT and Molecular Docking Studies of 1, 2 Disubstituted BenzimidazoleDerivatives with COVID-19 Receptors: An Approach for Medications toTreat COVID-19
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 9 Year: 2023 Page: 818-828
Author(s):
Cytotoxicity, Molecular Docking, ADMET and DFT Analysis of Alkaloidsfrom the Roots and Fruits of Vepris dainelli
Journal: Current Bioactive Compounds
Volume: 18 Issue: 8 Year: 2022 Page: 41-53
Author(s):
Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase
Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 674-685
Author(s): Manos C. Vlasiou,Kyriakos I. Ioannou,Kyriaki S. Pafiti
Imidazole-based Derivatives as Potential Anti-platelet Inhibitors: DFT and Molecular Docking Study
Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 9 Year: 2016 Page: 888-896
Author(s): Mehbub I. K. Momin, Neil A. Koorbanally, Bahareh Honarparvar
α-Glucosidase activity of oleanolic acid and its oxidative metabolites: DFT and Docking studies
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 15 Issue: 14 Year: 2015 Page: 1148-1158
Author(s): El Hassane Anouar,Nur Shahidatul Shida Zakaria,Ali Alsalme,Syed Adnan Ali Shah