Natural Language-Driven Virtual Screening: Enhancing Drug Discovery with LLMs and Biomedical Foundation ModelsTim ErdmannHolt Buiet al.2025ACS Spring 2025Talk
Novel LLM-powered assistant facilitating data visualization in research and educationTim ErdmannHolt Buiet al.2025ACS Spring 2025Talk
ML-Guided Engineering to Enhance Cell-Organelle Capacity for Multi-Enzyme Pathway CompartmentalizationJie ShiJordan Bakeret al.2025ACS Spring 2025Talk
Study planning assistant: Supporting material discovery with agentic workflowsViviane T. SilvaRenato Fontoura de Gusmao Cerqueiraet al.2025ACS Spring 2025Poster
Integrating Molecular Dynamics Simulations and Machine Learning to Uncover Important Determinants of protein-protein InteractionsTiffany CallahanKevin Chenget al.2025ACS Spring 2025Poster
Uncertainty Analysis of Molecular Quantum Properties Prediction Using Chemical Foundation ModelsSiya KundeEmilio Ashton Vital Brazilet al.2025ACS Spring 2025Poster
Constructing an open database of barrier heights for diverse elementary organic reactionsDerek AhnemanBrandi Ransom2025ACS Spring 2025Poster