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Migrating Genome Analysis Pipeline to Cloud: GATK Optimization with Cloud Object StorageTatsuhiro ChibaTakeshi Yoshimura2020MASCOTS 2020
Predicting HLA-peptide complex immunogenicity with molecular dynamics and graph convolutional deep learningJeff Weber2022ACS Fall 2022
Comparing active site sequence representations for kinase-ligand affinity predictionJannis BornTien Huynhet al.2022ACS Fall 2022
Extracting, Visualizing, and Learning from Dynamic Data: Perfusion in Surgical Video for Tissue CharacterizationJonathan P. EpperleinNiall P. Hardyet al.2022ICDH 2022
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2Jannis BornMatteo Manicaet al.2021ACS Fall 2021
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion ArchitecturesPartha SuryanarayananShreyans Sethiet al.2024ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reductionJie ShiKevin Chenget al.2024ACS Fall 2024