Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.
Richard J. MorrisRafael NajmanovichAbdullah KahramanJanet M. ThorntonPublished in: Bioinform. (2005)
Keyphrases
- spherical harmonics
- single image
- basis functions
- drug design
- drug discovery
- virtual screening
- cross correlation
- linear combination
- shape representation
- shape parameters
- reinforcement learning
- range data
- d objects
- feature vectors
- point cloud
- shape descriptors
- protein sequences
- keypoints
- super resolution
- state space
- computational complexity
- multiscale