GradPose: a very fast and memory-efficient gradient descent-based tool for superimposing millions of protein structures from computational simulations.
Daniel T. RademakerKevin J. van GeemenLi C. XuePublished in: Bioinform. (2023)
Keyphrases
- memory efficient
- protein structure
- molecular biology
- protein sequences
- external memory
- protein structure alignment
- iterative deepening
- amino acids
- protein structure and function
- secondary structure
- integral image
- nuclear magnetic resonance
- objective function
- protein function
- amino acid sequences
- branch and bound algorithm
- search space
- physico chemical