Search results
- 1.0584623 - ÚOCHB 2025 RIV US eng J - Journal Article
Majrashi, T. A. - Sabt, A. - Almahli, H. - El Hassab, M. A. - Noamaan, M. A. - Elkaeed, E. B. - Hamissa, Mohamed Farouk - Maslamani, A. N. - Shaldam, M. A. - Eldehna, W. M.
DFT and molecular simulation validation of the binding activity of PDEdelta inhibitors for repression of oncogenic k-Ras.
PLoS ONE. Roč. 19, č. 3 (2024), e0300035. ISSN 1932-6203. E-ISSN 1932-6203
Institutional support: RVO:61388963
Keywords : hybrid density functionals * electrostatic interactions * chemical-reactivity
Impact factor: 3.7, year: 2022
Method of publishing: Open access
https://doi.org/10.1371/journal.pone.0300035
Permanent Link: https://hdl.handle.net/11104/0352508 - 2.0578820 - ÚOCHB 2024 RIV DE eng J - Journal Article
Sabt, A. - Abdelraof, M. - Hamissa, Mohamed Farouk - Noamaan, M. A.
Antibacterial Activity of Quinoline-Based Derivatives against Methicillin-Resistant Staphylococcus aureus and Pseudomonas aeruginosa: Design, Synthesis, DFT and Molecular Dynamic Simulations.
Chemistry & Biodiversity. Roč. 20, č. 11 (2023), č. článku e202300804. ISSN 1612-1872. E-ISSN 1612-1880
Institutional support: RVO:61388963
Keywords : quinoline derivatives * methicillin-resistant Staphylococcus aureus (MRSA) * Pseudomonas aeruginosa * molecular docking * DFT * molecular dynamics simulation (MD)
OECD category: Physical chemistry
Impact factor: 2.9, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/cbdv.202300804
Permanent Link: https://hdl.handle.net/11104/0347728