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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...
Autores principales: | Pawnikar, Shristi, Bhattarai, Apurba, Wang, Jinan, Miao, Yinglong |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Dove
2022
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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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