DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that tr...
Publications
3 shownA Deep Learning Approach to Antibiotic Discovery
Due to the rapid emergence of antibiotic-resistant bacteria, there is a growing need to discover new antibiotics. To address this challenge, we trained a deep neural network cap...
Analyzing Learned Molecular Representations for Property Prediction
Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising ...
Frequent Co-Authors
Researcher Info
- h-index
- 3
- Publications
- 3
- Citations
- 3,730
- Institution
- Moscow Institute of Thermal Technology
External Links
Impact Metrics
h-index
3
h-index: Number of publications with at least h citations each.