Conferences & Invited Talks

Keynote Lecturer, “Generative AI in Molecular Science”, The 10th Asia-Pacific Association of Theoretical and Computational Chemist, Quy Nhon, Viet Nam, 2023.

Keynote Lecturer, “Driving Force for Membrane Protein Dynamics and Function”, The 10th Asia-Pacific Association of Theoretical and Computational Chemist, Quy Nhon, Viet Nam, 2023.

Invited Lecturer,  “AI-driven Future Drugs”, AI-Fesitival 2021,  HelloDD (대덕넷) and AI-Friends, 2021.

“Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility”, ACS National Meeting, San Francisco, USA, Aug. 2023

“Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function”, ACS National Meeting, San Francisco, USA, Aug. 2023

“Graph-based Small-Molecule Generative Modeling for Drug Discovery”, The 10th Asia-Pacific Association of Theoretical and Computational Chemists (APATCC-10), Quy Nhon, Viet Nam, 2023 (Keynote invited)

“Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function”, APATCC-10, Quy Nhon, Viet Nam, 2023 (Keynote Invited)

“Attempting Activity Modulation by Graph-based Small-Molecule Generative Modeling: Analysis on Training and Seed Bias and Implication of AI-driven Drug Discovery”, ACS National Meeting, Chicago, USA, Aug. 2022

“2D and 3D generative modeling for small molecules and biologics based on graph convolutional neural networks”, Cleveland Clinic, Nov. 2021 (Invited)

“AI-driven future drugs”, AI-Festival, Daejeon, Korea, Sep. 2021 (Invited)

“Generative small molecule design with graph representation for molecules”, Daiichi-Sankyo, Feb. 2021 (Invited)

“Structure-based generative AI for small-molecular drug design for COVID-19”, University of Southampton, UK, 2020 (Invited)

“Structure-based generative AI for small-molecular drug design for COVID-19”, GlaxoSmithKline Pharmaceuticals, USA, 2020 (Invited)

“Large-scale molecular modeling of diseases, drugs, and beyond”, Biosensor and material division, Global Cooperation: The Fast Track to Smart Future, Korea Ministry of Trade, Industry and Energy, Seoul, Korea, Dec. 2018 (Invited)

“Molecular insight of metallofullerenol Gd@C82(OH)22 in cancer antimetastasis: in silico modeling of nanodrug”, Biophysical Society 62nd Annual Meeting, San Francisco, USA, Feb. 2018.

“In silico Modeling of Nanodrug: Molecular Insight of Metallofullerenol Gd@C82(OH)22 in Cancer Anti-Metastasis”, The 254th ACS National Meeting, Washington, DC, USA, Aug. 2017.

“Molecular mechanism of surface-assisted self-assembly of amyloid-like peptides”, Biophysical Society 61th Annual Meeting, New Orleans, Louisiana, USA, Feb. 2017.

“Molecular mechanism of surface-assisted self-assembly of amyloid-like peptides”, The International Chemical Congress of Pacific Basin Society, Honolulu, Hawaii, USA, Dec. 2015. (Invited)

“Molecular mechanism of metallofullerenol Gd@C82(OH)22 in anti-metastasis of pancreatic cancer: in silico modeling of nanomedicine”, The International Chemical Congress of Pacific Basin Society, Honolulu, Hawaii, USA, Dec. 2015.

“In silico Design of Nano-Bio Interaction: Theoretical Approach for Nanomedicine and Nanostructuring”, Sungkyunkwan University Advanced Institute of Nano Technology, Suwon, Korea, 2014. (Invited)

“Surface­assisted assembly of amyloid­like peptides: Influence of surface hydrophobicity, salt concentration, and water humidity”, Hydrophobicity: From Theory and Simulation, to Experiment, Telluride Science Research Center, Telluride, Colorado, USA, 2014. (Invited)

“Large-scale molecular modeling of nanobio interfaces: Application for anti-metastatic therapeutics”, University of Pennsylvania, Philadelphia, USA, Apr. 2014. (Invited)

“In silico Design of Nano-Bio Interaction: Theoretical Approach for Nanomedicine and Nanostructuring”, Stevens Institute of Technology, Hoboken, NJ, USA, 2013. (Invited)

“Computational design and unfolding molecular dynamics of zinc-binding domain”, The 236th ACS National Meeting, Philadelphia, Pennsylvania, USA, Aug. 2008.

“Folding of a computationally redesigned zinc-binding domain,” The 234th ACS National Meeting, Boston, Massachusetts, USA, Aug. 2007.

“Computational redesign of human H ferritin: A biotemplate for noble metal nanoparticles”, The 234th ACS National Meeting, Boston, Massachusetts, USA, Aug. 2007.