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The Journal of Physical Chemistry. B|August 14, 2020
Thermodynamic Dissection of the Intercalation Binding Process of Doxorubicin to dsDNA with Implications of Ionic and Solvent EffectsBahaa Jawad, Lokendra Poudel, Rudolf Podgornik, et al.The Journal of Physical Chemistry Letters|April 28, 2022
Binding Interactions between Receptor-Binding Domain of Spike Protein and Human Angiotensin Converting Enzyme-2 in Omicron VariantBahaa Jawad, Puja Adhikari, Rudolf Podgornik, et al.Journal of Chemical Information and Modeling|August 24, 2021
Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamics Simulation and Density Functional CalculationBahaa Jawad, Puja Adhikari, Rudolf Podgornik, et al.RSC Advances|July 3, 2026
First-principles prediction of yield strength and hardness in body-centered cubic refractory-based medium, high, and super high entropy alloysSahib Hasan, Puja Adhikari, Khagendra Baral, et al.Scientific Reports|September 27, 2023
Ab initio study of mechanical and thermal properties of GeTe-based and PbSe-based high-entropy chalcogenidesSahib Hasan, Puja Adhikari, Saro San, et al.International Journal of Molecular Sciences|March 10, 2022
Mutations of Omicron Variant at the Interface of the Receptor Domain Motif and Human Angiotensin-Converting Enzyme-2Puja Adhikari, Bahaa Jawad, Rudolf Podgornik, et al.Materials (Basel, Switzerland)|October 13, 2021
First-Principles Simulation of Dielectric Function in BiomoleculesPuja Adhikari, Rudolf Podgornik, Bahaa Jawad, et al.Microorganisms|October 27, 2022
Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike ProteinPuja Adhikari, Bahaa Jawad, Rudolf Podgornik, et al.Royal Society Open Science|January 9, 2018
Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K2Mg (H2P2O7)2·2H2OPuja Adhikari, Redouane Khaoulaf, Hamid Ez-Zahraouy, et al.International Journal of Molecular Sciences|January 21, 2022
Computational Design of Miniproteins as SARS-CoV-2 Therapeutic InhibitorsBahaa Jawad, Puja Adhikari, Kun Cheng, et al.Pageof 6