Poster: study of protein-ligand binding geometries using a scalable and accurate octree-based algorithm in mapReduce.
Trilce EstradaBoyu ZhangPietro CicottiRoger S. ArmenMichela TauferPublished in: SC Companion (2011)
Keyphrases
- high accuracy
- experimental study
- computationally efficient
- computational complexity
- dynamic programming
- k means
- np hard
- memory efficient
- detection algorithm
- preprocessing
- objective function
- learning algorithm
- optimal solution
- tree structure
- single pass
- multiresolution
- expectation maximization
- data structure
- similarity measure