AIMC Topic: Matrix Metalloproteinase 12

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Machine Learning-Enhanced Quantum Chemistry-Assisted Refinement of the Active Site Structure of Metalloproteins.

Inorganic chemistry May 28, 2024
Understanding the fine structural details of inhibitor binding at the active site of metalloenzymes can have a profound impact on the rational drug design targeted to this broad class of biomolecules. Structural techniques such as NMR, cryo-EM, and X...
Humans Machine Learning Models, Molecular Quantum Theory Catalytic Domain Matrix Metalloproteinase 12 Metalloproteins
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Prediction of matrix metal proteinases-12 inhibitors by machine learning approaches.

Journal of biomolecular structure & dynamics Dec 24, 2018
Matrix metal proteinases-12 (MMP-12) is a hot pharmaceutical target on the treatment of many human diseases. There's a crying need for designing and finding new MMP-12 inhibitors. In this work, four machine learning approaches, support vector machine...
Machine Learning Algorithms Reproducibility of Results Drug Discovery ROC Curve Support Vector Machine Molecular Structure Quantitative Structure-Activity Relationship Matrix Metalloproteinase Inhibitors Matrix Metalloproteinase 12
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