Sodium or Not Sodium: Should Its Presence Affect the Accuracy of Pose Prediction in Docking GPCR Antagonists?

Bassani, Davide; Pavan, Matteo; Sturlese, Mattia; Moro, Stefano

Bassani, Davide; Pavan, Matteo; Sturlese, Mattia; Moro, Stefano.

Afiliação

Bassani D; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, 35131 Padova, Italy.
Pavan M; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, 35131 Padova, Italy.
Sturlese M; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, 35131 Padova, Italy.
Moro S; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, 35131 Padova, Italy.

Pharmaceuticals (Basel) ; 15(3)2022 Mar 11.

Article em En | MEDLINE | ID: mdl-35337144

Palavras-chave

GOLD; GPCR; Glide; PLANTS; allosteric modulator; antagonist; benchmark; molecular docking; performance; sodium ion

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Pharmaceuticals (Basel) Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Itália

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