Article

Towards an optimal monoclonal antibody with higher binding affinity to the receptor-binding domain of SARS-CoV-2 spike proteins from different variants

2022-01-05

Abstract excerpt

<h4>ABSTRACT</h4> A highly efficient and robust multiple scales in silico protocol, consisting of atomistic constant charge Molecular Dynamics (MD), constant-charge coarse-grain (CG) MD and constant-pH CG Monte Carlo (MC), has been used to study the binding affinities, the free energy of complexation of selected antigen-binding fragments of the monoclonal antibody (mAbs) CR3022 (originally derived from SARS-CoV-...

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Literature Corpus work: 726a6893-effd-5fdf-9488-e4724517cb82
DOI: 10.1101/2022.01.04.474958

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