المُخرَجات البحثية
Experimental and theoretical approach for the adsorption of ibuprofen in aqueous solution by biochars: application of conventional isotherms, statistical physics, and DFT
Hocine Grabi، Slimane Kadouche، Saloua Lahoum، Sabrina Atbata، Yasmine Bouassel، Amar Saal، Abdelkader Ouakouak
Holistic investigation of Cotula cinerea essential oil against diabetes: hypoglycemic activity, enzymatic inhibition, GC-MS characterization, ADMET forecasting, MD simulations, and DFT insights
Ouafa Boudebia، Mohammed Larbi Benamor، Lotfi Bourougaa، Yahia Bekkar، Elhafnaoui Lanez، Aicha Adaika، Rania Bouraoui، Kaouther Nesba، Housseyn Chaoua، Salah Eddine Hachani و 2 آخرون
Exploring potential therapeutics: Targeting dengue virus NS5 through molecular docking, ADMET profiling, and DFT analysis
Radhia Mazri، Mebarka Ouassaf، Aicha Kerassa، Bader Y. Alhatlani
Computer-Aided Strategy on 5-(Substituted benzylidene) Thiazolidine-2,4-Diones to Develop New and Potent PTP1B Inhibitors: QSAR Modeling, Molecular Docking, Molecular Dynamics, PASS Predictions, and DFT Investigations
Nour-El Houda Derki، Aicha Kerassa، Salah Belaıdı، Maroua Derki، Imane Yamari، Abdelouahid Samadi، Samir Chtita
Novel therapeutic agents for H5N1 influenza virus through 3D-QSAR, molecular docking, ADMET prediction, and DFT based global reactivity descriptors
Afaf Zekri، Mebarka Ouassaf، Shafi Ullah Khan، Aicha Kerassa، Bader Y. Alhatlani
Comprehensive in silico discovery of c-Src tyrosine kinase inhibitors in cancer treatment: A unified approach combining pharmacophore modeling, 3D QSAR, DFT, and molecular dynamics simulation
Saida Khamoulı، Md Tabish Rehman، Nadjiba Zegheb، Afzal Hussain، Meraj Alam Khan
N6,9-BIS(FERROCENYLMETHYL)ADENINE: SYNTHESIS, CYCLIC VOLTAMMETRIC, SPECTROSCOPIC CHARACTERIZATION, AND DFT CALCULATIONS
Elhafnaoui Lanez، Lazhar Bechki، Touhami Lanez
2019مقال وصول مفتوح 2
Structural, electronic and thermoelectric properties of the intermetallic materials based on Mg2X (X= Si, Ge, Sn): DFT calculations
Ibrir, Miloud، Hadjab, Moufdi، Lakel, SaidSaid، Meggag, ,NafissaNafissa
Low temperature study of the structural, electronic and thermoelectric behaviors of PbS lead chalcogenide
Fouddad Fatma Zohra، Hiadsi Said، Bouzid Latifa، Djabri Khaoula
2020ورقة مؤتمر وصول مفتوح
In Situ Calculation of the Rotation Barriers of the Methyl Groups of Tribromomesitylene Crystals: Theory Meets Experiment
Anissa Amar، Soria Zeroual، Xavier Rocquefelte، Abdou Boucekkine
Potential novel HIV-1 reverse transcriptase inhibitors: a modeling and evaluation approach
Malika Mellaoui، Radhia Mazri، Mohamed Mouadh Messaoui، Aicha Kerassa، Mebarka Ouassaf
Molecular structure, Spectroscopy, and HOMO-LUMO of Ferrocene by quantum computing methods
Kedadra, Abdellatif، Lanez Touhami
2020ورقة مؤتمر وصول مفتوح
Etude théorique des propriétés optiques des Ge n (n= 3, 4) clusters
Meriem BENAIDA، Kamal Eddine AIADI
2020ورقة مؤتمر وصول مفتوح
Synthesis, quantum chemical computations and x-ray crystallographic studies of a new complex based of manganese (+II)
Nabil Benyza، A. Messai، A. Hamdaoui، T. Lanez، Koray Sayın
Journal of Fundamental and Applied Sciencesالمجلّد 9، (2)، الصفحات 7702017مقال وصول مفتوحعدّة مصادر 3
Synthesis, In‐Silico Evaluation, ADME Analysis, and Molecular Dynamics Simulation of Novel β‐Lactam Derivatives Based on Diclofenac and Sulindac With Anticancer and Antioxidant Activities
Nabeel Abed Abdul-Rida، Ahmed M. Youssef، Elhafnaoui Lanez، Yahia Bekkar، Najim Aboud Al-Masoudi، Bahjat Ali Saeed، Wasfi A. Al‐Masoudi
Targeting Alzheimer's disease via phytochemicals from Artemisia campestris L.: GC/MS analysis with an integrated computational approach
Nafila Zouaghi، Elhafnaoui Lanez، Mohammed Larbi Benamor، Salah Neghmouche Nacer، Touhami Lanez، Yahia Bekkar، Habiba Haddad، Khairallah Al-Abdallat، Malek Zihlif، Yahya Al-Abdallat و 4 آخرون
N’-Ferrocenylmethyl-N’-phenylbenzohydrazide as a potential DNA binding compound: a combined experimental and computational study
Hanane Mouada، Touhami Lanez، Imran Zafar، Muhammad Sher Afghan، Nadjiba Zegheb
DABCO cadmium(II) tetrakis(4-metoxyphenyl)porphyrin complex – Structure, photophysical properties, and adsorpion removal of methylene blue dye
Chadlia Mchiri، Abdelkader Ouakouak، Soumaya Nasri، Abdesslem Jedidi، Ilona Turowska‐Tyrk، Samir Acherar، Céline Frochot، Thierry Roisnel، Habib Nasri
THEORETICAL APPROCH OF THE LIGAND COORDINATION IN Ln(tBuNC(CH3)NtBu)3 Ln = Y, La, Lu
Saad Bouchekioua، Nadia Ouddaï
Journal of Fundamental and Applied Sciencesالمجلّد 10، (3)، الصفحات 465-4762018مقال وصول مفتوحعدّة مصادر