Enhancing Ligand Pose Sampling for Molecular Docking.
Patricia SurianaRon O. DrorPublished in: CoRR (2023)
Keyphrases
- drug design
- virtual screening
- drug discovery
- pose estimation
- random sampling
- hiv protease
- high throughput
- position and orientation
- similarity searching
- protein protein
- protein protein interactions
- pose variations
- sampling algorithm
- importance sampling
- sampling methods
- head pose estimation
- monte carlo
- sample size
- d objects
- parameter space
- sampling strategy