Accurate assessment of the strain energy in a protein-bound drug using QM/MM X-ray refinement and converged quantum chemistry.
Zheng FuXue LiKenneth M. Merz Jr.Published in: J. Comput. Chem. (2011)
Keyphrases
- x ray
- strain energy
- fluoroscopic images
- pre operative
- x ray images
- cone beam ct
- digital x ray images
- medical imaging
- intraoperative
- projection images
- three dimensional
- drug discovery
- ct scans
- ct volume
- tomographic images
- high quality
- electron microscopy
- cone beam
- chemical reactions
- guide wire
- computer tomography
- electron beam
- transmission electron microscopy
- breast cancer detection
- patient specific
- anatomical structures
- multi view