AI-driven prediction of monoclonal antibody binding and activity against influenza A virusMichal Ozery-FlatoElla Barkanet al.2025ACS Fall 2025
Pan-Target Generation and Validation of Antibody Sequences Driven by an Iterative, Multimodal Foundation Model AI ApproachJeff Weber2025ACS Fall 2025
Leveraging Large Language Models to Predict Antibody Biological Activity Against Influenza A HemagglutininElla BarkanIbrahim Siddiquiet al.2025Computational And Structural Biotechnology Journal
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicityJeffrey K WeberJoseph A Morroneet al.2024Briefings in Bioinformatics
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding CompatibilitySeung Gu KangJeff Weberet 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
Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptideXiaolong LiNishant Kumar Singhet al.2023Nature Communications
Predicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learningJeff Weber2022ACS Fall 2022
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule CreationSeung Gu KangJeff Weberet al.2022arXiv