Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among SARS-CoV-2 variants of concern.

Kim, Seonghan; Liu, Yi; Ziarnik, Matthew; Seo, Sangjae; Cao, Yiwei; Zhang, X Frank; Im, Wonpil

Kim, Seonghan; Liu, Yi; Ziarnik, Matthew; Seo, Sangjae; Cao, Yiwei; Zhang, X Frank; Im, Wonpil.

Afiliação

Kim S; Department of Bioengineering, Lehigh University, Bethlehem, Pennsylvania, USA.
Liu Y; Department of Bioengineering, Lehigh University, Bethlehem, Pennsylvania, USA.
Ziarnik M; Department of Bioengineering, Lehigh University, Bethlehem, Pennsylvania, USA.
Seo S; Division of National Supercomputing, Korean Institute of Science and Technology Information, Daejeon, Republic of Korea.
Cao Y; Department of Biological Sciences, Lehigh University, Bethlehem, Pennsylvania, USA.
Zhang XF; Department of Chemistry, Lehigh University, Bethlehem, Pennsylvania, USA.
Im W; Department of Computer Science and Engineering, Lehigh University, Bethlehem, Pennsylvania, USA.

J Comput Chem ; 44(4): 594-601, 2023 02 05.

Article em En | MEDLINE | ID: mdl-36398990

Assuntos

COVID-19; SARS-CoV-2; Humanos; Enzima de Conversão de Angiotensina 2; Simulação de Dinâmica Molecular; Mutação; Ligação Proteica; SARS-CoV-2/genética

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / COVID-19 Tipo de estudo: Risk_factors_studies Limite: Humans Idioma: En Revista: J Comput Chem Assunto da revista: QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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