Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts.

Jedwabny, Wiktoria; Dyguda-Kazimierowicz, Edyta; Pernal, Katarzyna; Szalewicz, Krzysztof; Patkowski, Konrad

Jedwabny, Wiktoria; Dyguda-Kazimierowicz, Edyta; Pernal, Katarzyna; Szalewicz, Krzysztof; Patkowski, Konrad.

Afiliação

Jedwabny W; Department of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland.
Dyguda-Kazimierowicz E; Department of Chemistry, Wroclaw University of Science and Technology, Wybrzeze Wyspianskiego 27, 50-370 Wroclaw, Poland.
Pernal K; Institute of Physics, Lódz University of Technology, Wólczanska 219, 90-924 Lódz, Poland.
Szalewicz K; Department of Physics and Astronomy, University of Delaware, Newark, Delaware 19716, United States.
Patkowski K; Department of Chemistry and Biochemistry, Auburn University, Auburn, Alabama 36849, United States.

J Phys Chem A ; 125(8): 1787-1799, 2021 Mar 04.

Article em En | MEDLINE | ID: mdl-33620223

Assuntos

Biocatálise; Desenho de Fármacos; Halogênios/química; Ligantes; Eletricidade Estática

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Desenho de Fármacos / Biocatálise / Halogênios Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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