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Topology-driven pre-training for robust molecular property prediction modelsAldo Guzmán-SáenzSanjoy Deyet al.2023ACS Fall 2023
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Combining molecular simulation and AI for antibody design against cancer immunotherapy targetsJeff Weber2023ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspectiveLeili Zhang2023ACS Fall 2023
Molecular dynamics as a data source: scaling simulation for building AI modelsJoseph MorroneJeff Weberet al.2023ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding CompatibilitySeung Gu KangJeff Weberet al.2023ACS Fall 2023