| Key interacting residues between RBD of SARS-CoV-2 and ACE2 receptor: Combination of molecular dynamic simulation and density functional calculation B Jawad, P Adhikari, R Podgornik, WY Ching | 108 | 2021 |
| Structure and electronic properties of a continuous random network model of an amorphous zeolitic imidazolate framework (a-ZIF) P Adhikari, M Xiong, N Li, X Zhao, P Rulis, WY Ching The Journal of Physical Chemistry C 120 (28), 15362-15368, 2016 | 59 | 2016 |
| Intra-and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding P Adhikari, N Li, M Shin, NF Steinmetz, R Twarock, R Podgornik, ... Physical Chemistry Chemical Physics 22 (33), 18272-18283, 2020 | 56 | 2020 |
| Binding interactions between receptor-binding domain of spike protein and human angiotensin converting enzyme-2 in omicron variant B Jawad, P Adhikari, R Podgornik, WY Ching The journal of physical chemistry letters 13 (17), 3915-3921, 2022 | 48 | 2022 |
| Electronic structure, dielectric response and surface charge distribution of RGD (1FUV) peptide P Adhikari, AM Wen, RH French, VA Parsegian, NF Steinmetz, ... Scientific reports 4 (1), 5605, 2014 | 43 | 2014 |
| Designing the interface of carbon nanotube/biomaterials for high-performance ultra-broadband photodetection Y Gong, P Adhikari, Q Liu, T Wang, M Gong, WL Chan, WY Ching, J Wu ACS applied materials & interfaces 9 (12), 11016-11024, 2017 | 35 | 2017 |
| Ab initio Modeling of the Electronic Structures and Physical Properties of a‐Si1−xGexO2 Glass (x = 0 to 1) K Baral, P Adhikari, WY Ching Journal of the American Ceramic Society 99 (11), 3677-3684, 2016 | 31 | 2016 |
| Structure and properties of hydrogrossular mineral series P Adhikari, CC Dharmawardhana, WY Ching Journal of the American Ceramic Society 100 (9), 4317-4330, 2017 | 27 | 2017 |
| First‐principles study in an inter‐granular glassy film model of silicon nitride WY Ching, M Yoshiya, P Adhikari, P Rulis, Y Ikuhara, I Tanaka Journal of the American Ceramic Society 101 (7), 2673-2688, 2018 | 26 | 2018 |
| Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus WY Ching, P Adhikari, B Jawad, R Podgornik Computational and Structural Biotechnology Journal 19, 1288-1301, 2021 | 23 | 2021 |
| Deformation behavior of an amorphous zeolitic imidazolate framework–from a supersoft material to a complex organometallic alloy P Adhikari, N Li, P Rulis, WY Ching Physical Chemistry Chemical Physics 20 (46), 29001-29011, 2018 | 23 | 2018 |
| Polarity‐Controlled Attachment of Cytochrome C for High‐Performance Cytochrome C/Graphene van der Waals Heterojunction Photodetectors M Gong, P Adhikari, Y Gong, T Wang, Q Liu, B Kattel, WY Ching, ... Advanced Functional Materials 28 (5), 1704797, 2018 | 19 | 2018 |
| Amino acid interacting network in the receptor-binding domain of SARS-CoV-2 spike protein P Adhikari, WY Ching RSC advances 10 (65), 39831-39841, 2020 | 18 | 2020 |
| Mutations of Omicron variant at the interface of the receptor domain motif and human angiotensin-converting enzyme-2 P Adhikari, B Jawad, R Podgornik, WY Ching International journal of molecular sciences 23 (5), 2870, 2022 | 16 | 2022 |
| DFT study of electronic structure and optical properties of kaolinite, muscovite, and montmorillonite L Shafei, P Adhikari, WY Ching Crystals 11 (6), 618, 2021 | 15 | 2021 |
| Conspicuous interatomic bonding in chalcogenide crystals and implications on electronic, optical, and elastic properties S Hasan, P Adhikari, K Baral, WY Ching AIP Advances 10 (7), 2020 | 14 | 2020 |
| Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K2Mg (H2P2O7)2·2H2O P Adhikari, R Khaoulaf, H Ez-Zahraouy, WY Ching Royal Society open science 4 (12), 170982, 2017 | 14 | 2017 |
| Delta variant with P681R critical mutation revealed by ultra-large atomic-scale ab initio simulation: Implications for the fundamentals of biomolecular interactions P Adhikari, B Jawad, P Rao, R Podgornik, WY Ching Viruses 14 (3), 465, 2022 | 12 | 2022 |
| Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors B Jawad, P Adhikari, K Cheng, R Podgornik, WY Ching International Journal of Molecular Sciences 23 (2), 838, 2022 | 12 | 2022 |
| Solvent effect on the structure and properties of RGD peptide (1FUV) at body temperature (310 K) using ab initio molecular dynamics K Baral, P Adhikari, B Jawad, R Podgornik, WY Ching Polymers 13 (19), 3434, 2021 | 12 | 2021 |
Wai-Yim ChingUniversity of Missouri-Kansas CityVerified email at umkc.edu
