Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates
Por um escritor misterioso
Last updated 05 julho 2024
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://pubs.acs.org/cms/10.1021/acs.jcim.0c00525/asset/images/medium/ci0c00525_0004.gif)
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://media.springernature.com/full/springer-static/image/art%3A10.1038%2Fs41598-023-27636-x/MediaObjects/41598_2023_27636_Fig1_HTML.png)
Optimizing variant-specific therapeutic SARS-CoV-2 decoys using deep- learning-guided molecular dynamics simulations
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://media.springernature.com/full/springer-static/image/art%3A10.1038%2Fs41598-022-22992-6/MediaObjects/41598_2022_22992_Fig1_HTML.png)
The use of machine learning modeling, virtual screening, molecular docking, and molecular dynamics simulations to identify potential VEGFR2 kinase inhibitors
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://ars.els-cdn.com/content/image/1-s2.0-S109332631730983X-fx1.jpg)
Multiscale molecular dynamics simulations of lipid interactions with P- glycoprotein in a complex membrane - ScienceDirect
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://pubs.rsc.org/image/article/2023/DD/d2dd00119e/d2dd00119e-f5_hi-res.gif)
Deep learning models for the estimation of free energy of permeation of small molecules across lipid membranes - Digital Discovery (RSC Publishing) DOI:10.1039/D2DD00119E
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://www.researchgate.net/publication/319066958/figure/fig2/AS:527849505673217@1502860537521/Molecular-modeling-of-human-P-gp-structure-a-3D-Structure-of-human-P-gp-model-build-by.png)
Molecular modeling of human P-gp structure. (a) 3D Structure of human
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://www.mdpi.com/cells/cells-08-01286/article_deploy/html/images/cells-08-01286-g005.png)
Cells, Free Full-Text
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://pubs.acs.org/cms/10.1021/acs.jcim.0c00525/asset/images/medium/ci0c00525_0011.gif)
Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://www.frontiersin.org/files/Articles/669431/fmolb-08-669431-HTML/image_m/fmolb-08-669431-g001.jpg)
Frontiers In silico Approaches for the Design and Optimization of Interfering Peptides Against Protein–Protein Interactions
![Combining Machine Learning and Molecular Dynamics to Predict P-Glycoprotein Substrates](https://www.mdpi.com/molecules/molecules-24-02006/article_deploy/html/images/molecules-24-02006-g001.png)
Molecules, Free Full-Text
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