Interpretable latent representations for molecular property prediction modelsSanjoy DeyPartha Suryanarayananet al.2023ACS Fall 2023
Combining molecular simulation and AI for antibody design against cancer immunotherapy targetsJeff Weber2023ACS 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
Folding and misfolding of Huntingtin protein from a coevolutionary perspectiveLeili Zhang2023ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding CompatibilitySeung Gu KangJeff Weberet al.2023ACS Fall 2023
Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and FunctionSeung Gu KangShaima Muhammednazaaret al.2023ACS Fall 2023