Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an <i>insilco</i> pharmacophore modeling, molecular docking and dynamics approach.

Ghosh, Amar; Jha, Prakash C; Manhas, Anu

Computational studies to explore inhibitors against the cyclin-dependent kinase 12/13 enzyme: an insilco pharmacophore modeling, molecular docking and dynamics approach.

Ghosh, Amar; Jha, Prakash C; Manhas, Anu.

Afiliación

Ghosh A; School of Applied Material Sciences, Central University of Gujarat, Gandhinagar, Gujarat, India.
Jha PC; School of Applied Material Sciences, Central University of Gujarat, Gandhinagar, Gujarat, India.
Manhas A; Department of Chemistry, School of Energy Technology, Pandit Deendayal Energy University, Gandhinagar, Gujarat, India.

J Biomol Struct Dyn ; : 1-14, 2023 Oct 10.

Article en En | MEDLINE | ID: mdl-37817503

Palabras clave

CDK12/13; free energy calculations; molecular docking; molecular dynamics simulations; pharmacophore modelling

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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