Accueil › Annuaire des chercheurs › Samir Kenouche
Samir Kenouche
Affiliation : University of Biskra
- 34Publications (affiliation algérienne)
- 48Publications au total
- 390Citations
- 11Indice h
Profil de recherche
Samir Kenouche compte 34 publications référencées (2013–2026). Ses travaux paraissent principalement dans « Journal of Molecular Graphics and Modelling », « Computational and Theoretical Chemistry » et « Structural Chemistry ». Son article le plus cité, « The antioxidant capacity of myricetin. A molecular electrostatic potential analysis based on DFT calculations » (2022), a été cité 58 fois. 17 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs, notamment dans des établissements de France, Canada.
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Créer mon profil gratuit Ajouter mes publicationsDomaines de recherche
- 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
Revues de publication
- 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 par année
- 202612
- 20252
- 20243
- 20233
- 20227
- 20212
- 20202
- 20181
- 20141
- 20131
Collaborations
Établissements partenaires : Centre National de la Recherche Scientifique · Université Montpellier 2 · University of Abou Bekr Belkaïd · Laboratoire Charles Coulomb · Institut Charles Gerhardt Montpellier
Pays des co-auteurs : France · Canada
Co-auteurs
- Nadjib Melkemi
- Ismail Daoud
- Ahlem Belkadi
- Nassima Bachir
- Fouzia Mesli
- Dalal Harkati
- Afaf Zekri
- Merzaka Mettai
- Rania Kherachi
- Nacer Bezzi
- Imane Bensahbane
- Myriem Ghamri
Données bibliographiques issues d’OpenAlex (base ouverte).
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