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RSC Advances|January 22, 2025
Phase stability, electronic, mechanical, lattice distortion, and thermal properties of complex refractory-based high entropy alloys TiVCrZrNbMoHfTaW with varying elemental ratiosSahib Hasan, Puja Adhikari, Saro San, et al.
Computers in Biology and Medicine|October 23, 2023
Impact of BA.1, BA.2, and BA.4/BA.5 Omicron mutations on therapeutic monoclonal antibodiesBahaa Jawad, Puja Adhikari, Rudolf Podgornik, 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.
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.
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.
Viruses|March 26, 2022
Delta Variant with P681R Critical Mutation Revealed by Ultra-Large Atomic-Scale Ab Initio Simulation: Implications for the Fundamentals of Biomolecular InteractionsPuja Adhikari, Bahaa Jawad, Praveen Rao, 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.
Polymers|October 13, 2021
Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular DynamicsKhagendra Baral, Puja Adhikari, Bahaa Jawad, et al.
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