Author: Carolina Corrêa Giron; Aatto Laaksonen; Fernando L. Barroso da Silva
Title: On the interactions of the receptor-binding domain of SARS-CoV-1 and SARS-CoV-2 spike proteins with monoclonal antibodies and the receptor ACE2 Document date: 2020_4_10
ID: 4mv6qwpc_34
Snippet: Charge-charge interactions were found to be a good simple descriptor for a fast screening to the designing of improved mAb for diagnostics, therapeutics and vaccines. Our theoretical approach, while still being further developed, has identified three amino acids substitution that can increase the binding affinity of CR3022 to the RBD protein responsible for the present pandemic. These results can contribute to guide the design of new functional a.....
Document: Charge-charge interactions were found to be a good simple descriptor for a fast screening to the designing of improved mAb for diagnostics, therapeutics and vaccines. Our theoretical approach, while still being further developed, has identified three amino acids substitution that can increase the binding affinity of CR3022 to the RBD protein responsible for the present pandemic. These results can contribute to guide the design of new functional and high specific mAbs providing a cost-and-time-effective computational framework towards the development of better diagnostic strategies and an effective treatment and/or vaccine for COVID-19.
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