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A Fragment-Based Scoring Function to Re-rank ATP Docking Results

ATP is involved in numerous biochemical reactions in living cells interacting with different proteins. Molecular docking simulations provide considerable insight into the problem of molecular recognition of this substrate. To improve the selection of correct ATP poses among those generated by dockin...

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Detalles Bibliográficos
Autores principales: Pyrkov, Timothy V., Efremov, Roman G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2007
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3871847/