Adhikari P - Search Results

1

Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike Protein.

Adhikari P, Jawad B, Podgornik R, Ching WY. Adhikari P, et al. Microorganisms. 2022 Oct 10;10(10):1999. doi: 10.3390/microorganisms10101999. Microorganisms. 2022. PMID: 36296275 Free PMC article.

2

Electronic structure, dielectric response, and surface charge distribution of RGD (1FUV) peptide.

Adhikari P, Wen AM, French RH, Parsegian VA, Steinmetz NF, Podgornik R, Ching WY. Adhikari P, et al. Sci Rep. 2014 Jul 8;4:5605. doi: 10.1038/srep05605. Sci Rep. 2014. PMID: 25001596 Free PMC article.

3

Metallic Ternary Telluride with Sphalerite Superstructure.

Adhikary A, Mohapatra S, Lee SH, Hor YS, Adhikari P, Ching WY, Choudhury A. Adhikary A, et al. Among authors: adhikari p. Inorg Chem. 2016 Mar 7;55(5):2114-22. doi: 10.1021/acs.inorgchem.5b02516. Epub 2016 Feb 18. Inorg Chem. 2016. PMID: 26890202

4

Designing the Interface of Carbon Nanotube/Biomaterials for High-Performance Ultra-Broadband Photodetection.

Gong Y, Adhikari P, Liu Q, Wang T, Gong M, Chan WL, Ching WY, Wu J. Gong Y, et al. Among authors: adhikari p. ACS Appl Mater Interfaces. 2017 Mar 29;9(12):11016-11024. doi: 10.1021/acsami.7b00352. Epub 2017 Mar 14. ACS Appl Mater Interfaces. 2017. PMID: 28263551

5

Complex interplay of interatomic bonding in a multi-component pyrophosphate crystal: K₂Mg (H₂P₂O₇)₂·2H₂O.

Adhikari P, Khaoulaf R, Ez-Zahraouy H, Ching WY. Adhikari P, et al. R Soc Open Sci. 2017 Dec 6;4(12):170982. doi: 10.1098/rsos.170982. eCollection 2017 Dec. R Soc Open Sci. 2017. PMID: 29308239 Free PMC article.

6

Deformation behavior of an amorphous zeolitic imidazolate framework - from a supersoft material to a complex organometallic alloy.

Adhikari P , Li N , Rulis P , Ching WY . Adhikari P , et al. Phys Chem Chem Phys. 2018 Nov 28;20(46):29001-29011. doi: 10.1039/c8cp05610b. Phys Chem Chem Phys. 2018. PMID: 30371698

7

Intra- and intermolecular atomic-scale interactions in the receptor binding domain of SARS-CoV-2 spike protein: implication for ACE2 receptor binding.

Adhikari P , Li N , Shin M , Steinmetz NF , Twarock R , Podgornik R , Ching WY . Adhikari P , et al. Phys Chem Chem Phys. 2020 Sep 7;22(33):18272-18283. doi: 10.1039/d0cp03145c. Epub 2020 Aug 5. Phys Chem Chem Phys. 2020. PMID: 32756685

8

Ultra-large-scale ab initio quantum chemical computation of bio-molecular systems: The case of spike protein of SARS-CoV-2 virus.

Ching WY, Adhikari P, Jawad B, Podgornik R. Ching WY, et al. Among authors: adhikari p. Comput Struct Biotechnol J. 2021;19:1288-1301. doi: 10.1016/j.csbj.2021.02.004. Epub 2021 Feb 19. Comput Struct Biotechnol J. 2021. PMID: 33623641 Free PMC article.

9

Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamics Simulation and Density Functional Calculation.

Jawad B, Adhikari P, Podgornik R, Ching WY. Jawad B, et al. Among authors: adhikari p. J Chem Inf Model. 2021 Sep 27;61(9):4425-4441. doi: 10.1021/acs.jcim.1c00560. Epub 2021 Aug 24. J Chem Inf Model. 2021. PMID: 34428371 Free article.

10

First-Principles Simulation of Dielectric Function in Biomolecules.

Adhikari P, Podgornik R, Jawad B, Ching WY. Adhikari P, et al. Materials (Basel). 2021 Oct 2;14(19):5774. doi: 10.3390/ma14195774. Materials (Basel). 2021. PMID: 34640170 Free PMC article.

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