Improving Docking Results via Reranking of Ensembles of Ligand Poses in Multiple X-ray Protein Conformations with MM-GBSA.
Paulette A. GreenidgeChristian KramerJean-Christophe MozziconacciWoody ShermanPublished in: J. Chem. Inf. Model. (2014)
Keyphrases
- x ray
- protein structure
- pre operative
- fluoroscopic images
- digital x ray images
- x ray images
- intraoperative
- medical imaging
- protein folding
- three dimensional
- cone beam ct
- amino acids
- protein structure prediction
- drug design
- projection images
- drug discovery
- electron microscopy
- tomographic images
- protein sequences
- computer tomography
- ct scans
- image guided
- protein protein
- electron beam
- virtual screening
- dual energy
- ct volume