A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
Yong DuanChun WuShibasish ChowdhuryMathew C. LeeGuoming XiongWei ZhangRong YangPiotr CieplakRay LuoTaisung LeeJames W. CaldwellJunmei WangPeter A. KollmanPublished in: J. Comput. Chem. (2003)
Keyphrases
- force field
- quantum mechanics
- molecular dynamics simulations
- living cells
- active contour model
- active contours
- molecular dynamics
- interaction networks
- deformable models
- protein structure prediction
- object boundaries
- three dimensional
- protein sequences
- protein protein interactions
- reference object
- amino acids
- image restoration