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RSC Advances|May 6, 2022
Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike proteinPuja Adhikari, Wai-Yim Ching
International Journal of Molecular Sciences|September 28, 2024
Mechanical Properties of a Solvated Biomolecule: RGD (1FUV) PeptidePuja Adhikari, Bahaa Jawad, Wai-Yim Ching
Molecules (Basel, Switzerland)|May 14, 2025
Electronic Interactions Between the Receptor-Binding Domain of Omicron Variants and Angiotensin-Converting Enzyme 2: A Novel Amino Acid-Amino Acid Bond Pair ConceptPuja Adhikari, Bahaa Jawad, Wai-Yim Ching
Physical Chemistry Chemical Physics : PCCP|October 30, 2018
Deformation behavior of an amorphous zeolitic imidazolate framework - from a supersoft material to a complex organometallic alloyPuja Adhikari, Neng Li, Paul Rulis, 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.
Computational and Structural Biotechnology Journal|February 24, 2021
Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virusWai-Yim Ching, Puja Adhikari, Bahaa Jawad, et al.
International Journal of Molecular Sciences|September 9, 2022
Effect of Delta and Omicron Mutations on the RBD-SD1 Domain of the Spike Protein in SARS-CoV-2 and the Omicron Mutations on RBD-ACE2 Interface ComplexWai-Yim Ching, Puja Adhikari, Bahaa Jawad, et al.
Biomedicines|February 25, 2023
Towards Quantum-Chemical Level Calculations of SARS-CoV-2 Spike Protein Variants of Concern by First Principles Density Functional TheoryWai-Yim Ching, Puja Adhikari, Bahaa Jawad, et al.
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