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Puja Adhikari
Puja Adhikari
Подтвержден адрес электронной почты в домене mail.umkc.edu
Название
Процитировано
Процитировано
Год
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
1072021
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
592016
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
562020
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
462022
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
432014
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
352017
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
312016
Structure and properties of hydrogrossular mineral series
P Adhikari, CC Dharmawardhana, WY Ching
Journal of the American Ceramic Society 100 (9), 4317-4330, 2017
272017
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
252018
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
232021
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
232018
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
192018
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
182020
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
162022
DFT study of electronic structure and optical properties of kaolinite, muscovite, and montmorillonite
L Shafei, P Adhikari, WY Ching
Crystals 11 (6), 618, 2021
142021
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
142020
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
142017
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
122022
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
122022
First-principles simulation of dielectric function in biomolecules
P Adhikari, R Podgornik, B Jawad, WY Ching
Materials 14 (19), 5774, 2021
122021
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