Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates
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Descrição
Modelling peptide–protein complexes: docking, simulations and machine learning, QRB Discovery
Shown are chemical structures of the correctly predicted non-substrates
BioSimLab - Research
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Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates
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