Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view modelsJoseph MorroneDiwakar Mahajanet al.2024ACS Fall 2024
Catalyst Development for Polymerization and CO2 Capture, Storage and Upcycling to High Value MaterialsJames HedrickNathaniel Parket al.2024MRS Spring Meeting 2024
Biodegradable Polymer-Lipid Nanoparticles for Effective In Vivo mRNA DeliveryYiyan YangJames Hedrick2024MRS Spring Meeting 2024
Signatures of energy dissipation in bacterial chemotaxis signaling pathwaysQiwei YuDavid Hathcocket al.2024APS March Meeting 2024
Leveraging machine learning and combinatorial signaling motif libraries for engineering CAR T cellsSara Capponi2023ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspectiveLeili Zhang2023ACS Fall 2023
Topology-driven pre-training for robust molecular property prediction modelsAldo Guzmán-SáenzSanjoy Deyet al.2023ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI modelsJoseph MorroneJeff Weberet al.2023ACS Fall 2023
Combining molecular simulation and AI for antibody design against cancer immunotherapy targetsJeff Weber2023ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding CompatibilitySeung Gu KangJeff Weberet al.2023ACS Fall 2023