Exploring the chemical space for potential inhibitors against cell surface binding protein of Mpox virus using molecular fingerprint based screening approach.

Chaudhuri, Dwaipayan; Majumder, Satyabrata; Datta, Joyeeta; Giri, Kalyan

Chaudhuri, Dwaipayan; Majumder, Satyabrata; Datta, Joyeeta; Giri, Kalyan.

Afiliación

Chaudhuri D; Department of Life Sciences, Presidency University, Kolkata, India.
Majumder S; Department of Life Sciences, Presidency University, Kolkata, India.
Datta J; Department of Life Sciences, Presidency University, Kolkata, India.
Giri K; Department of Life Sciences, Presidency University, Kolkata, India.

J Biomol Struct Dyn ; : 1-14, 2023 Jul 22.

Article en En | MEDLINE | ID: mdl-37480263

Palabras clave

MD simulation; MM/PBSA binding energy; Mpox virus E8L protein; chondroitin sulphate; fingerprint scanning

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Texto completo: 1 Banco de datos: MEDLINE Tipo de estudio: Diagnostic_studies / Screening_studies Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: India

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