Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates
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Frontiers Involvement of P-gp on Reversing Multidrug Resistance Effects of 23-Hydroxybetulinic Acid on Chemotherapeutic Agents

Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

Machine learning for small molecule drug discovery in academia and industry - ScienceDirect

Combining machine‐learning and molecular‐modeling methods for drug‐target affinity predictions - Perez‐Lopez - 2023 - WIREs Computational Molecular Science - Wiley Online Library

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Molecular modeling of human P-gp structure. (a) 3D Structure of human

Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates

The use of machine learning modeling, virtual screening, molecular docking, and molecular dynamics simulations to identify potential VEGFR2 kinase inhibitors
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