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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
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.
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.
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.
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.
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