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Binding Analysis Using Accelerated Molecular Dynamics Simulations and Future Perspectives

Biomolecular recognition such as binding of small molecules, nucleic acids, peptides and proteins to their target receptors plays key roles in cellular function and has been targeted for therapeutic drug design. Molecular dynamics (MD) is a computational approach to analyze these binding processes a...

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Detalles Bibliográficos
Autores principales: Pawnikar, Shristi, Bhattarai, Apurba, Wang, Jinan, Miao, Yinglong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Dove 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8747661/
https://www.ncbi.nlm.nih.gov/pubmed/35023931
http://dx.doi.org/10.2147/AABC.S247950

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