Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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7 results for Seung Gu Kang

Molecular dynamics as a data source: scaling simulation for building AI models
- - Joseph Morrone
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2023
- ACS Fall 2023
Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery
- - Seung Gu Kang
- 2022
- ACS Fall 2022
Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- - Seung Gu Kang
  - Shaima Muhammednazaar
  - et al.
- 2023
- ACS Fall 2023
SPARK: Harnessing Human-Centered Workflows with Biomedical Foundation Models for Drug Discovery
- - Bc Kwon
  - Simona Rabinovici-Cohen
  - et al.
- 2024
- IJCAI 2024
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity
- - Jeff Weber
  - Joseph Morrone
  - et al.
- 2024
- Briefings in Bioinformatics
In-Pocket 3D Graphs Enhance Ligand-Target Compatibility in Generative Small-Molecule Creation
- - Seung Gu Kang
  - Jeff Weber
  - et al.
- 2022
- arXiv