Distribution of Bound Conformations in Conformational Ensembles for X-ray Ligands Predicted by the ANI-2X Machine Learning Potential.
Fengyang HanDongxiao HaoXibing HeLuxuan WangTaoyu NiuJunmei WangPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- x ray
- low energy
- electron microscopy
- machine learning
- protein folding
- decision trees
- medical imaging
- x ray images
- digital x ray images
- ct scans
- intraoperative
- three dimensional
- experimentally determined
- coarse grained
- tomographic images
- protein structure
- distortion correction
- transmission electron microscopy
- medical images
- metal oxide
- computer vision
- amino acids
- cone beam
- poor contrast