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NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket.
Joongwon Lee
Wonho Zhung
Woo Youn Kim
Published in:
CoRR (2024)
Keyphrases
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diffusion model
drug discovery
diffusion models
anisotropic diffusion
information diffusion
protein interaction
user interaction
protein protein interactions
diffusion process
laplace transform
influence maximization
protein sequences
protein structure
motion estimation