Fast and scalable algorithms for constructing Solvent-Excluded Surfaces of large biomolecules.

Raphael Egan Frédéric Gibou

Published in: J. Comput. Phys. (2018)

Keyphrases

benchmark datasets
data structure
recently developed
highly scalable
three dimensional
times faster
computationally efficient
scale poorly
graph theory
worst case
learning algorithm
single image
optimization problems
orders of magnitude
computational cost
search algorithm
neural network