Time-dependent conformational analysis of ALK5-lumican complex in presence of graphene and graphene oxide employing molecular dynamics and MMPBSA calculation.

Sridharan, Sindhiya; Nagarajan, Santhosh Kumar; Venugopal, Kathirvel; Venkatasubbu, G Devanand

Sridharan, Sindhiya; Nagarajan, Santhosh Kumar; Venugopal, Kathirvel; Venkatasubbu, G Devanand.

Afiliação

Sridharan S; Department of Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.
Nagarajan SK; Department of Genetic Engineering, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.
Venugopal K; Department of Physics and Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.
Venkatasubbu GD; Department of Nanotechnology, SRM Institute of Science and Technology, Chengalpattu, Tamil Nadu, India.

J Biomol Struct Dyn ; 40(13): 5932-5955, 2022 08.

Article em En | MEDLINE | ID: mdl-33507126

Assuntos

Grafite; Sulfato de Queratano; Apoenzimas; Proteoglicanas de Sulfatos de Condroitina; Lumicana; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular

Palavras-chave

ALK5; MMPBSA calculation; binding energy estimation; binding specificity; graphene; graphene oxide; lumican; molecular dynamics; wound healing

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Grafite / Sulfato de Queratano Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia País de publicação: Reino Unido

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