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Saudi Journal of Biological Sciences|March 29, 2022
Identification of phytochemical inhibitors of SARS-CoV-2 protease 3CL<sup>pro</sup> from selected medicinal plants as per molecular docking, bond energies and amino acid binding energiesSami Ullah, Bushra Munir, Abdullah G Al-Sehemi, et al.Physical Chemistry Chemical Physics : PCCP|February 20, 2026
Quantum chemical prediction and benchmark study for structural isomers of terpyridine: electronic structure modulations and charge transfer dynamicsSehrish Ehsan, Shabbir Muhammad, Shamsa Bibi, et al.ACS Omega|January 17, 2022
In Silico Drug Designing for ala438 Deleted Ribosomal Protein S1 (RpsA) on the Basis of the Active Compound <i>Zrl</i>15Abdul Wadood, Azam Shareef, Ashfaq Ur Rehman, et al.Journal of Molecular Modeling|July 17, 2015
Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategyAijaz Rasool Chaudhry, R Ahmed, Ahmad Irfan, et al.Computational Biology and Chemistry|January 29, 2024
Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potencyShabbir Muhammad, Nimra Zahir, Shamsa Bibi, et al.The Journal of Physical Chemistry. A|March 21, 2009
Prediction of remarkably large second-order nonlinear optical properties of organoimido-substituted hexamolybdatesMuhammad Ramzan Saeed Ashraf Janjua, Chun-Guan Liu, Wei Guan, et al.Frontiers in Chemistry|December 13, 2019
Synthesis, Crystal Structures and Photoluminescent Properties of One-Dimensional Europium(III)- and Terbium(III)-Glutarate Coordination Polymers, and Their Applications for the Sensing of Fe<sup>3+</sup> and NitroaromaticsSajjad Hussain, Xuenian Chen, William T A Harrison, et al.Journal of Molecular Modeling|January 26, 2022
Shedding light on the optical and nonlinear optical properties of superalkali-doped boropheneMuhammad Hussnain, Rao Aqil Shehzad, Shabbir Muhammad, et al.Optik|August 24, 2021
Experimental and computational study of naphthalimide derivatives: Synthesis, optical, nonlinear optical and antiviral propertiesSantosh Kumar, Shabbir Muhammad, Saleh S Alarfaji, et al.Journal of Molecular Graphics & Modelling|February 10, 2024
Quantum chemical framework for tailoring N/B doped phenalene derivatives to achieve high performance nonlinear optical materialsShafiq urRehman, Saliha Fatima, Shabbir Muhammad, et al.Pageof 11