Ab Initio Quantum Molecular Similarity Measures on Metal-Substituted Carbonic Anhydrase (MIICA, M = Be, Mg, Mn, Co, Ni, Cu, Zn, and Cd).
Miquel SolàJordi MestresMiquel DuranRamon CarbóPublished in: J. Chem. Inf. Comput. Sci. (1994)
Keyphrases
- similarity measure
- molecular dynamics
- protein structure prediction
- low energy
- electron microscopy
- quantum computation
- quantum inspired
- mechanical properties
- similarity function
- pairwise
- semantic similarity
- similarity assessment
- protein folding
- similarity search
- distance measure
- quantum computing
- mutual information
- drug design
- quantum mechanics
- feature vectors
- stainless steel
- dna computing
- three dimensional
- discrete space
- similarity metrics
- high performance computing
- protein sequences
- euclidean distance
- similarity computation
- computational biology
- scientific data
- grain size
- protein structure
- similarity measurement
- dissimilarity measure
- graph theory
- probability ranking principle