The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design.
Oleg Y. BorbulevychRoger I. MartinLance M. WesterhoffPublished in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
- x ray
- drug design
- fluoroscopic images
- pre operative
- digital x ray images
- intraoperative
- x ray images
- medical imaging
- ct scans
- three dimensional
- electron microscopy
- cone beam ct
- computer tomography
- tomographic images
- projection images
- transmission electron microscopy
- ct volume
- anatomical structures
- image registration
- dual energy
- metal oxide