Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics Simulations.

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

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

Afiliação

Pavan M; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy.
Menin S; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy.
Bassani D; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy.
Sturlese M; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy.
Moro S; Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy.

J Chem Inf Model ; 62(22): 5715-5728, 2022 11 28.

Article em En | MEDLINE | ID: mdl-36315402

Assuntos

COVID-19; Simulação de Dinâmica Molecular; Humanos; Ligantes; Ligação Proteica; SARS-CoV-2

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / COVID-19 Tipo de estudo: Prognostic_studies / Qualitative_research Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google