Events

Gaetano

October 10, 2025 - Seminar - Hidden Structural States of Proteins Revealed by Conformer Selection with AlphaFold-NMR

Oct. 6, 2025

Gaetano T. Montelione, Ph.D. Abstract Protein structures are not static objects, but rather sample a conformational energy landscape that underpins their functions. Recent advances in molecular modeling using deep learning can revolutionize our understanding of dynamic protein structures. NMR is particularly well-suited for studying dynamic features of biomolecular structures. The...

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Sunil

October 3, 2025 - Seminar - Chemical Biology to Drug Discovery in Neurodegeneration and Beyond

Sept. 29, 2025

Sunil Kumar, Ph.D. Abstract The aberrant protein-protein interactions (aPPIs) lead to numerous pathological conditions, including infectious diseases, cancer, and amyloid diseases. Therefore, modulation of aPPIs could be considered a viable therapeutic intervention for a wide range of pathologies. Two common strategies to modulate aPPIs are small molecules and peptides/antibodies. Both...

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Kang

September 19, 2025 - Seminar -Tweek/LPD-3-Mediated ER-PM Contact Site Formation Facilitates Lipid Transfer and Glial Phagocytosis during Neuronal Remodeling

Sept. 8, 2025

Yunsik Kang, Ph.D. Abstract Neuronal remodeling during development produces substantial cellular debris, which glial cells must phagocytose to maintain tissue homeostasis and guide proper circuit formation. In Drosophila, astrocytes transform into phagocytes during the larva-to-adult transition, phagocytosing synaptic, axonal, and dendritic debris. We show that Tweek, a bridge-like lipid transfer...

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tosaporn

September 12, 2025 - Seminar - Role of Quantum Chemistry in Drug Development and The Understanding of Isovalency Concept

Sept. 2, 2025

Tosaporn Sattasathuchana, Ph.D. Abstarct Quantum mechanics (QM) is a valuable tool for investigating chemical and biological phenomena at the molecular level. Two topics from my research group will be presented in this talk. The first topic focuses on our new hybrid QM-statistical mechanics approach, namely protein-ligand QM-VM2 (PLQM-VM2), for accurately...

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liu

September 5, 2025 -SeminarSynergizing GPU-Accelerated Quantum Chemistry and Machine Learning for Molecular Discoveries in the Condensed Phase

Sept. 2, 2025

Fang Liu, Ph.D. Abstract Machine learning (ML) and big data play increasingly critical roles in chemical discovery. However, datasets (both computational and experimental) and ML models remain scarce for solvated molecules and molecule assemblies. My group leverages GPU-accelerated quantum chemistry and machine learning to address these gaps. We developed AutoSolvate,...

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