| Key Interacting Residues between RBD of SARS-CoV-2 and ACE2 Receptor: Combination of Molecular Dynamics Simulation and Density Functional Calculation B Jawad, P Adhikari, R Podgornik, WY Ching J. Chem. Inf. Model. 61 (9), 4425–4441, 2021 | 108 | 2021 |
| Molecular mechanism and binding free energy of doxorubicin intercalation in DNA B Jawad, L Poudel, R Podgornik, NF Steinmetz, WY Ching Physical chemistry chemical physics 21 (7), 3877-3893, 2019 | 92 | 2019 |
| 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 |
| Thermodynamic dissection of the intercalation binding process of doxorubicin to dsDNA with implications of ionic and solvent effects B Jawad, L Poudel, R Podgornik, WY Ching The Journal of Physical Chemistry B 124 (36), 7803-7818, 2020 | 28 | 2020 |
| 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 |
| 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 |
| 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 |
| First-principles simulation of dielectric function in biomolecules P Adhikari, R Podgornik, B Jawad, WY Ching Materials 14 (19), 5774, 2021 | 12 | 2021 |
| 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 complex WY Ching, P Adhikari, B Jawad, R Podgornik International Journal of Molecular Sciences 23 (17), 10091, 2022 | 10 | 2022 |
| Impact of BA. 1, BA. 2, and BA. 4/BA. 5 Omicron mutations on therapeutic monoclonal antibodies B Jawad, P Adhikari, R Podgornik, WY Ching Computers in Biology and Medicine 167, 107576, 2023 | 5 | 2023 |
| Quantum chemical computation of omicron mutations near cleavage sites of the spike protein P Adhikari, B Jawad, R Podgornik, WY Ching Microorganisms 10 (10), 1999, 2022 | 5 | 2022 |
| Towards quantum-chemical level calculations of SARS-CoV-2 spike protein variants of concern by first principles density functional theory WY Ching, P Adhikari, B Jawad, R Podgornik Biomedicines 11 (2), 517, 2023 | 3 | 2023 |
| Binding Interactions between RBD of Spike-Protein and Human ACE2 in Omicron variant B Jawad, P Adhikari, R Podgornik, WY Ching bioRxiv, 2022.02. 10.480009, 2022 | 3 | 2022 |
| Molecular Dynamic and Free Energy Analysis of Doxorubicin and DNA Complex B Jawad, L Poudel, WY Ching Biophysical Journal 114 (3), 528a, 2018 | 3 | 2018 |
| Quantum Chemical Computation of Omicron Mutations Near Cleavage Sites of the Spike Protein. Microorganisms. 2022, p 1999 P Adhikari, B Jawad, R Podgornik, WY Ching s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2022 | 1 | 2022 |
| Ab initio electronic dielectric “constant” of proteins: a baseline for electrostatic interaction in biomolecular systems P Adhikari, R Podgornik, B Jawad, WY Ching | 1 | 2021 |
| First-Principles Simulation of Dielectric Function in Biomolecules. Materials 2021, 14, 5774 P Adhikari, R Podgornik, B Jawad, WY Ching s Note: MDPI stays neutral with regard to jurisdictional claims in published …, 2021 | 1 | 2021 |
| Mechanical Properties of Super-soft Biomolecular Systems: Application to Twenty Solvated Canonical Amino Acids P Adhikari, B Jawad, WY Ching BME Horizon 1 (1), 2023 | | 2023 |
Wai-Yim ChingUniversity of Missouri-Kansas CityDirección de correo verificada de umkc.edu
