Structural and pKa Estimation of the Amphipathic HR1 in SARS-CoV-2: Insights from Constant pH MD, Linear vs. Nonlinear Normal Mode Analysis
A comprehensive understanding of molecular interactions and functions is imperative for unraveling the intricacies of viral protein behavior and conformational dynamics during cellular entry. Focusing on the SARS-CoV-2 spike protein (SARS-CoV-2 sp), a Principal Component Analysis (PCA) on a subset c...
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| Format: | article |
| Language: | eng |
| Published: |
2023
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| Online Access: | https://www.mdpi.com/1422-0067/24/22/16190 https://hdl.handle.net/20.500.14809/6134 |
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