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Samir Kenouche
Affiliation : University of Biskra
- 34Publications (affiliation in Algeria)
- 48Total publications
- 390Citations
- 11h-index
Research profile
Samir Kenouche has 34 indexed publications (2013–2026). Their work appears mainly in “Journal of Molecular Graphics and Modelling”, “Computational and Theoretical Chemistry” and “Structural Chemistry”. Their most cited article, “The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations” (2022), has been cited 58 times. 17 of these publications date from the last three years of activity. Their work is co-authored with at least 12 researchers, including institutions in France, Canada.
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Create my free profile Add my publicationsResearch areas
- Advanced Chemical Physics Studies
- Computational Drug Discovery Methods
- Crystallography and molecular interactions
- Advanced Physical and Chemical Molecular Interactions
- NMR spectroscopy and applications
Publications (34)
- Analytical derivation of the non-local Second-Order Fukui Index via the first-order response of the delocalization index
- An explicit density-matrix formulation for spin-resolved local reactivity in open-shell systems
- Spin-Resolved Nonlocal Second-Order Fukui Index for Open-Shell Systems from Delocalization Index Response
- Molecular modeling studies of novel breast cancer inhibitors using molecular docking, molecular dynamics, MEP, bioisosteric replacement, and ADME-Tox prediction
- The dual delocalization descriptor: first- and second-order responses of bond-resolved electron sharing
- Computational framework for non-local Second-Order Fukui Indices (SOFI) based on atomic overlap integrals: Interorbital coupling and self-delocalization effects
- Orbital-resolved decomposition of the delocalization index in closed- and open-shell systems
- Molecular Insights Into N 4 HDPP Derivatives as Potential MTDH–SND1 Interaction Inhibitors in Metastatic Breast Cancer: A Combined Docking, Molecular Dynamics, MEP, and ADME‐T Study
- Topological Electronic Sensitivity Index (TESI): Weighted Graph Spectral Analysis of Molecular Systems with Electron Delocalization Indices
- Molecular Modeling Investigation of Bonding, Spectroscopic, and Nonlinear Optical Properties of 2,5-Bis(4-chlorophenyl)-4,4,5-trifluoro-1,3-thiazole Derivatives
- Spectral analysis of the QTAIM localization–delocalization matrix: Electronic localization and delocalization modes in aromatic systems
- Electron-Number Response of QTAIM Delocalization Indices: A Differential Decomposition into Population and Orbital-Relaxation Contributions
- DFT Insights into the Be12O12 Nanocage as a Promising Nanomaterial for Amino Acid Detection
- Neither more nor less: Four types of carbon–carbon bonds in C20 revealed using local hyper-softness
- Aromaticity of six-membered nitro energetic compounds through molecular electrostatic potential, magnetic, electronic delocalization and reactivity-based indices
- The linear response function $$\chi (\textbf{r}, \textbf{r}^{'})$$: another perspective
- Synthesis of novel Bi0.5Na0.5Ti0.95 (Ni0.2Fe0.2Sb0.6)0.05O3 perovskite material used as a photocatalyst for methylene blue degradation under sunlight irradiation
- Molecular docking/dynamics simulations, MEP analysis, bioisosteric replacement and ADME/T prediction for identification of dual targets inhibitors of Parkinson’s disease with novel scaffold
- Investigation of spirooxindole-pyrrolidine derivatives as acetylcholinesterase inhibitors using molecular docking/dynamics simulations, bioisosteric replacement, MEP, and ADME/Tox properties
- The effect of { O , N } = X ⋯ M = { Ti,Zr,Hf } interactions on the sensitivity of C NO 2 trigger bonds in FOX-7: Approach based on the QTAIM/EDA-NOCV analysis
- The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations
- Investigation of [3H]diazepam derivatives as allosteric modulators of GABAA receptor α1β2γ2 subtypes: combination of molecular docking/dynamic simulations, pharmacokinetics/drug-likeness prediction, and QSAR analysis
- A combined QTAIM/IRI topological analysis of the effect of axial/equatorial positions of NH2 and CN substituents in the [(PY5Me2)MoO]+ complex
- A computational study of potent series of selective estrogen receptor degraders for breast cancer therapy
- Molecular docking/dynamic simulations, MEP, ADME-TOX-based analysis of xanthone derivatives as CHK1 inhibitors
- Theoretical investigation of the effect of O ⋯ M = { Ti , Zr , Hf } interactions on the sensitivity of energetic N-nitro compounds
- Explaining the High Catalytic Activity in Bis(indenyl)methyl Zirconium Cation Using Combined EDA‐NOCV/QTAIM Approach
- K-means clustering analysis, ADME/pharmacokinetic prediction, MEP, and molecular docking studies of potential cytotoxic agents
- Combined Conceptual-DFT, Quantitative MEP Analysis, and Molecular Docking Study of Benzodiazepine Analogs
- QSAR modeling, docking, ADME and reactivity of indazole derivatives as antagonizes of estrogen receptor alpha (ER-α) positive in breast cancer
- High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis
- Predictive QSAR model and clustering analysis of some Benzothiazole derivatives as cytotoxic inhibitors
- In vivo quantitative NMR imaging of fruit tissues during growth using Spoiled Gradient Echo sequence
- NMR investigation of functionalized magnetic nanoparticles Fe3O4 as T1–T2 contrast agents
Publication venues
- Journal of Molecular Graphics and Modelling × 5
- Computational and Theoretical Chemistry × 4
- Structural Chemistry × 4
- The Journal of Physical Chemistry A × 2
- Monatshefte für Chemie - Chemical Monthly × 1
- Physical Chemistry Chemical Physics × 1
Publications per year
- 202612
- 20252
- 20243
- 20233
- 20227
- 20212
- 20202
- 20181
- 20141
- 20131
Collaborations
Partner institutions : Centre National de la Recherche Scientifique · Université Montpellier 2 · University of Abou Bekr Belkaïd · Laboratoire Charles Coulomb · Institut Charles Gerhardt Montpellier
Co-authors’ countries : France · Canada
Co-authors
- Nadjib Melkemi
- Ismail Daoud
- Ahlem Belkadi
- Nassima Bachir
- Fouzia Mesli
- Dalal Harkati
- Afaf Zekri
- Merzaka Mettai
- Rania Kherachi
- Nacer Bezzi
- Imane Bensahbane
- Myriem Ghamri
Bibliographic data from OpenAlex (open database).
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