S. Byadi

发表

Electronic investigation and spectroscopic analysis using DFT with the long-range dispersion correction on the six lowest conformers of 2.2.3-trimethyl pentane

M. E. Hachim, K. Sadik, S. Byadi, 2020, Journal of Molecular Modeling.

Study of copper removal by modified biomaterials using the response surface methodology, DFT Calculation, and Molecular dynamic simulation

M. Chafi, C. Jama, A. Barhoumi, 2022, Journal of Molecular Liquids.

Synthesis, spectroscopic characterization, and prevention of carbon steel corrosion in hydrochloric acid of a new bis-isoxazoline-carvone

A. Riahi, M. Guennoun, A. Essadki, 2022, Journal of Molecular Structure.

New 3-(2-methoxyphenyl)-isoxazole-carvone: synthesis, Spectroscopic characterization, and prevention of carbon steel corrosion in hydrochloric acid

A. Riahi, M. Guennoun, A. Essadki, 2021, Journal of Molecular Liquids.

Corrosion Inhibition by Indazole Derivatives in 1 M HCl Medium: Experimental and Computational Studies

H. Garmes, S. Byadi, Amine El Maraghi, 2022, Journal of Bio- and Tribo-Corrosion.

Multi-QSAR approaches for investigating the relationship between chemical structure descriptors of Thiadiazole derivatives and their corrosion inhibition performance

Č. Podlipnik, M. E. Hachim, K. Sadik, 2021 .

Corrosion Inhibition by Indazole Derivatives in 1 M HCl Medium: Experimental and Computational Studies

H. Garmes, S. Byadi, Amine El Maraghi, 2022, Journal of Bio- and Tribo-Corrosion.

A Newly Synthesized β-amino-α, β-unsaturated Ketone Derivative of β-himachalene: Structural, NBO, NLO, and Molecular Docking Studies

M. Saadi, L. E. Ammari, M. Taourirte, 2022, Biointerface Research in Applied Chemistry.

Multi-component Theoretical Assessment of the Corrosion Inhibitory Performance of some Macrocyclic Polyethers Containing 1,3,4 Thiadiazole on the Iron Surface

K. Sadik, S. Byadi, A. Aboulmouhajir, 2022, Portugaliae Electrochimica Acta.

Inhibitive Mechanism of Acid Corrosion of Cold-Rolled Steel by Polyethylene Glycol via Experimental, Computational and Surface Analytical Approaches

W. Nik, I. Arukalam, S. Byadi, 2021, Journal of Bio- and Tribo-Corrosion.

Corrosion inhibition performance of azelaic acid dihydrazide: a molecular dynamics and Monte Carlo simulation study

A. Tounsi, M. Salah, A. Zeroual, 2021, Journal of Molecular Modeling.

Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment

C. Alsenoy, M. E. Hachim, K. Sadik, 2019, Journal of Molecular Modeling.

Selective synthesis of novel quinolones-amino esters as potential antibacterial and antifungal agents: Experimental, mechanistic study, docking and molecular dynamic simulations

Karina Moslova, Oussama Moussaoui, Lahoucine Bahsis, 2021 .

Cytotoxic and apoptotic effects of some (R)-carvone-isoxazoline derivatives on human fibrosarcoma and carcinoma cells: experimental evaluation for cytotoxicity, molecular docking and molecular dynamics studies

My Youssef Ait Itto, H. Morjani, A. Riahi, 2022, Journal of biomolecular structure & dynamics.

Newly synthesized (R)-carvone-derived 1,2,3-triazoles: structural, mechanistic, cytotoxic and molecular docking studies

My Youssef Ait Itto, H. Morjani, Lahoucine Bahsis, 2021, Journal of biomolecular structure & dynamics.

New gem-dichlorocyclopropane-pyrazole hybrids with monoterpenic skeleton: Synthesis, crystal structure, cytotoxic evaluation, molecular dynamics and theoretical study

L. Van Meervelt, T. Rohand, H. Morjani, 2022, Journal of Molecular Structure.

Towards a theoretical understanding of alkaloid-extract Cytisine derivatives of Retama monosperma (L.) Boiss. Seeds, as eco-friendly inhibitor for carbon steel corrosion in acidic 1M HCl solution

I. Bahadur, M. E. Hachim, K. Sadik, 2020 .

Discovery of a new Bcl-2 inhibitor through synthesis, anticancer activity, docking and MD simulations.

H. Morjani, A. Auhmani, Ali Oubella, 2023, Journal of biomolecular structure & dynamics.

Design, synthesis, in vitro anticancer activity, and molecular docking studies of new (R)-carvone-pyrazole-1,2,3-triazoles

My Youssef Ait Itto, H. Morjani, A. Riahi, 2022, Journal of Molecular Structure.

Chemical profiling, cytotoxic activities through apoptosis induction in human fibrosarcoma and carcinoma cells, and molecular docking of some 1,2,3-triazole-isoxazoline hybrids using the eugenol as a precursors

My Youssef Ait Itto, H. Morjani, Č. Podlipnik, 2022, Journal of biomolecular structure & dynamics.

In silico discovery of novel inhibitors from Northern African natural products database against main protease (Mpro) of SARS-CoV-2

Č. Podlipnik, M. E. Hachim, K. Sadik, 2022, Journal of biomolecular structure & dynamics.

Sulphated polysaccharides from seaweeds as potential entry inhibitors and vaccine adjuvants against SARS-CoV-2 RBD spike protein: a computational approach

R. Hammal, M. Douma, N. Manaut, 2021, Journal of Taibah University for Science.

Insight into corrosion inhibition mechanism of carbon steel by an algal extract as an eco‐friendly corrosion inhibitor in 0.5 M H2SO4: Experimental and molecular dynamics study

M. Chafi, M. Siniti, F. Chibi, 2023, Materials and Corrosion.

Discovery of a New Mcl‐1 Protein Inhibitor through the QSAR Approach and Molecular Docking Study

Č. Podlipnik, M. E. Hachim, K. Sadik, 2022, Advanced Theory and Simulations.

Novel isoxazoline‐linked 1,3,4‐thiadiazole hybrids as anticancer agents: Design, synthesis, biological evaluation, molecular docking, and molecular dynamics simulation

H. Morjani, A. Riahi, A. Auhmani, 2022, Archiv der Pharmazie.