Binding modes identification through molecular dynamic simulations: A case study with carnosine enantiomers and the Teicoplanin A2-2-based chiral stationary phase.

Sardella, Roccaldo; Ianni, Federica; Cossignani, Lina; Aldini, Giancarlo; Carotti, Andrea

Sardella, Roccaldo; Ianni, Federica; Cossignani, Lina; Aldini, Giancarlo; Carotti, Andrea.

Afiliação

Sardella R; Department of Pharmaceutical Sciences, University of Perugia, Via Fabretti 48, Perugia, 06123, Italy.
Ianni F; Department of Pharmaceutical Sciences, University of Perugia, Via Fabretti 48, Perugia, 06123, Italy.
Cossignani L; Department of Pharmaceutical Sciences, University of Perugia, Via Fabretti 48, Perugia, 06123, Italy.
Aldini G; Department of Pharmaceutical Sciences, University of Milan, Via Mangiagalli 25, Milano, 20133, Italy.
Carotti A; Department of Pharmaceutical Sciences, University of Perugia, Via Fabretti 48, Perugia, 06123, Italy.

J Sep Sci ; 43(9-10): 1728-1736, 2020 May.

Article em En | MEDLINE | ID: mdl-32112671

Assuntos

Carnosina/análise; Simulação de Dinâmica Molecular; Teicoplanina/análogos & derivados; Estrutura Molecular; Estereoisomerismo; Teicoplanina/análise

Palavras-chave

binding modes; chiral chromatography; enantioseparation; molecular dynamics; teicoplanin

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Carnosina / Teicoplanina / Simulação de Dinâmica Molecular Tipo de estudo: Diagnostic_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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