PIDiff: Physics informed diffusion model for protein pocket-specific 3D molecular generation.
Seungyeon ChoiSangmin SeoByung Ju KimChihyun ParkSanghyun ParkPublished in: Comput. Biol. Medicine (2024)
Keyphrases
- diffusion model
- protein structure prediction
- molecular dynamics
- drug design
- anisotropic diffusion
- diffusion models
- information diffusion
- molecular structures
- three dimensional
- virtual screening
- protein structure
- sequence analysis
- drug discovery
- signaling pathways
- mass spectrometry
- interaction networks
- social networks
- natural images
- image registration
- object recognition
- image segmentation