Molecular dynamics as a data source: scaling simulation for building AI models
- Joseph Morrone
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Talk
Publications
804 results for Life Sciences
Topology-driven pre-training for robust molecular property prediction models
- Aldo Guzmán-Sáenz
- Sanjoy Dey
- et al.
- 2023
- ACS Fall 2023
TalkCombining molecular simulation and AI for antibody design against cancer immunotherapy targets
- 2023
- ACS Fall 2023
TalkGraph-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
TalkInterpretable latent representations for molecular property prediction models
- Sanjoy Dey
- Partha Suryanarayanan
- et al.
- 2023
- ACS Fall 2023
TalkFolding and misfolding of Huntingtin protein from a coevolutionary perspective
- 2023
- ACS Fall 2023
TalkUnveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- Seung Gu Kang
- Shaima Muhammednazaar
- et al.
- 2023
- ACS Fall 2023
PosterTool to isolate and identify impactful submolecular motifs – rBRICS
- 2023
- ACS Fall 2023
PosterGenetic events associated with venetoclax resistance in CLL identified by whole-exome sequencing of patient samples
- Jasneet Kaur Khalsa
- Justin Cha
- et al.
- 2023
- Blood
PaperPolymeric Giant Unilamellar Vesicles with Integrated DNA-Origami Nanopores: An Efficient Platform for Tuning Bioreaction Dynamics Through Controlled Molecular Diffusion
- Rémy Cochereau
- Viviana Maffeis
- et al.
- 2023
- Advanced Functional Materials
Paper