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Scientific Reports|May 11, 2021
Structural and physical properties of 99 complex bulk chalcogenides crystals using first-principles calculationsSahib Hasan, Khagendra Baral, Neng Li, 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.
ACS Combinatorial Science|November 12, 2019
Interfacial Interaction between Suolunite Crystal and Silica Binding Peptide for Novel Bioinspired CementWai-Yim Ching, Lokendra Poudel, Saro San, 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.
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.
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.
Materials (Basel, Switzerland)|January 21, 2023
Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740Wai-Yim Ching, Saro San, Caizhi Zhou, et al.
Physical Chemistry Chemical Physics : PCCP|December 5, 2013
Densification of a continuous random network model of amorphous SiO2 glassNeng Li, Ridwan Sakidja, Sitaram Aryal, et al.
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