Combining physics-based modeling and graph neural networks for drug discovery
- 2022
- ACS Fall 2022
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24 results for Joseph Morrone
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- 2024
- ACS Fall 2024
Topology-driven pre-training for robust molecular property prediction models
- Aldo Guzmán-Sáenz
- Sanjoy Dey
- et al.
- 2023
- ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- Seung Gu Kang
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Blind protein structure prediction using accelerated free-energy simulations
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2016
- Science Advances
Optimizing CAR T cell design using quantum convolutional neural networks
- 2024
- ISMB 2024
SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery
- Bc Kwon
- Simona Rabinovici-Cohen
- et al.
- 2024
- IJCAI 2024
Towards quantum-enabled cell-centric therapeutics
- Saugata Basu
- Jannis Born
- et al.
- 2023
- arXiv