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Wai-Yim Ching

As seen in: Nature, Wiley Online Library, MDPI, ACS Publications, BioRxiv
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Articles

Mechanical Properties of a Solvated Biomolecule: RGD (1FUV) Peptide

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By Puja Adhikari, Bahaa Jawad, Wai-Yim Ching
| MDPI
All articles published by MDPI are made immediately available worldwide under an open access license. No special permission is required to reuse all or part of the article published by MDPI, including figures and tables. For articles published under an open access Creative Common CC BY license, any part of the article may be reused without permission provided that the original article is clearly cited. For more information, please refer to https://www.mdpi.com/openaccess.
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Bond strength between receptor binding domain of spike protein and human angiotensin converting enzyme-2 using machine learning.

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By Puja Adhikari, Praveen Rao, Wai-Yim Ching, Abdulmateen Adebiyi
| BioRxiv
Abstract The spike protein (S-protein) of SARS-CoV-2 plays an important role in binding, fusion, and host entry. In this study, we have predicted interatomic bond strength between receptor binding domain (RBD) and angiotensin converting enzyme-2 (ACE2) using machine learning (ML), that matches with expensive ab initio calculation result. We collected bond order result from ab initio calculations.
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Effects of Na/K-Cl Salts on Hydrolysis of Aluminosilicate Glass Using Ab Initio Molecular Dynamics

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By Khagendra Raj Baral, Neng Li, Wai-Yim Ching, Seung Ho
| dx.doi.org
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Phys. Chem.
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