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Article

Electrostatic Features for the Receptor Binding Domain of SARS-COV-2 Wildtype and Its Variants. Compass to the Severity of the Future Variants with the Charge-Rule.

The journal of physical chemistry. B - 15 Sept 2022

Barroso da Silva Fernando L, Giron Carolina Corrêa, Laaksonen Aatto

Abstract excerpt

Electrostatic intermolecular interactions are important in many aspects of biology. We have studied the main electrostatic features involved in the interaction of the receptor-binding domain (RBD) of the SARS-CoV-2 spike protein with the human receptor Angiotensin-converting enzyme 2 (ACE2). As the principal computational tool, we have used the FORTE approach, capable to model proton fluctuations and computing...

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PMID: 36066414
DOI: 10.1021/acs.jpcb.2c04225

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 6 Sept 2026.

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