Search Result "quantum chemicalcalculations"
DFT Studies and Quantum Chemical Calculations of BenzoylThiourea Derivatives Linked to Morpholine and Piperidine for theEvaluation of Antifungal Activity
Journal: Current Physical Chemistry
Volume: 12 Issue: 1 Year: 2022 Page: 29-36
Author(s): Rameshwar K. Dongare,Shaukatali N. Inamdar,Radhakrishnan M. Tigote
Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 468-475
Author(s): Piotr Kawczak,Leszek Bober,Tomasz BÄ
czek
Toxicology Studies of Anisole and Glyoxylic Acid Derivatives by Computational Methods
Ebook: Computational Toxicology for Drug Safety and a Sustainable Environment
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815196986123010010
Possible Mechanisms of Binding of Gamma- Pyridones to the Opioid-Like Receptor
Ebook: Frontiers in Pain Science
Volume: 1 Year: 2017
Author(s): Boris V. Krylov,Ilia V. Rogachevskii,Tatiana N. Shelykh,Vera B. Plakhova
Doi: 10.2174/9781608059300117010004
Discovery of a Statistically Significant and Interpretable Relationship Between Redox Reactivity and Lethality of Drugs
Journal: Current Drug Metabolism
Volume: 14 Issue: 7 Year: 2013 Page: 738-744
Author(s): Siu-Kwong Pang
In Silico Stereo-Electronic Analysis of PMD (p-Menthane-3-8-Diol) and its Derivatives for Pharmacophore Development May Aid Discovery of Novel Insect Repellents
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 308-316
Author(s): Apurba K. Bhattacharjee
Rosmarinic Acid as a Potential Multi-targeted Inhibitor for SAR-CoV-2:An In silico Virtual Screening Approach
Journal: Coronaviruses
Volume: 5 Issue: 3 Year: 2024 Page: 11-20
Author(s):
Hologram Quantitative Structure-Activity Relationships Investigations of Non-nucleoside Reverse Transcriptase Inhibitors
Journal: Current Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2003 Page: 1661-1677
Author(s): Pornpan Pungpo, Supa Hannongbua, Peter Wolschann
DFT and Molecular Docking Analysis of Newly SynthesizedCompound (2E)-3-[3-(Benzyloxy) Phenyl]-1-(4â-Chlorophe-Nyl)-2-Propen-1-One [Bpclpo]
Journal: Current Physical Chemistry
Volume: 13 Issue: 1 Year: 2023 Page: 37-74
Author(s): Aso Hameed Hasan,Yeap Lon Er
6-Membered P-Heterocycles: 1,2-Dihydro-, 1,2,3,6-Tetrahydro- and 1,2,3,4,5,6-Hexahydrophosphinine 1-Oxides
Journal: Current Organic Chemistry
Volume: 10 Issue: 1 Year: 2006 Page: 93-111
Author(s): Gyorgy Keglevich