AIMC Topic: Purine-Nucleoside Phosphorylase
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The ligand binding mechanism to purine nucleoside phosphorylase elucidated via molecular dynamics and machine learning.
Nature communications
Jan 27, 2015
The study of biomolecular interactions between a drug and its biological target is of paramount importance for the design of novel bioactive compounds. In this paper, we report on the use of molecular dynamics (MD) simulations and machine learning to...
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