Density-Based Clustering of Small Peptide Conformations Sampled from a Molecular Dynamics Simulation.
Minkyoung KimSeung-Hoon ChoiJunhyoung KimKihang ChoiJae-Min ShinSang-Kee KangYun-Jaie ChoiDong Hyun JungPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- molecular dynamics
- protein folding
- density based clustering
- amino acids
- molecular dynamics simulations
- high performance computing
- scientific data
- high efficiency
- arbitrary shape
- clustering algorithm
- outlier detection
- categorical data
- secondary structure
- protein structure
- coarse grained
- protein sequences
- building blocks
- fluid flow
- response time
- image sequences