西南交通大学

“创源”大讲堂研究生学术讲座

讲座时间：2025年4月23日（星期三）10：30

讲座地点：工业中心C座103会议室

主讲人：Gianluca Lattanzi

主讲人简介：

Gianluca Lattanzi is a Full Professor of Applied Physics at the Physics Department of the University of Trento. He earned his PhD cum laude in Condensed Matter Theory from the International School for Advanced Studies (SISSA-ISAS) in Trieste, Italy in 2001 and a Degree cum laude in Physics from the University of Bari, Italy in 1997. Professor Lattanzi gained significant research experience abroad as a Marie Curie Fellow at the Hahn-Meitner Institut in Berlin, Germany. He also held Visiting Professor positions at SISSA-ISAS, Trieste, Rush Medical Center, Chicago, and University College Dublin, Ireland. Currently, Professor Lattanzi holds the position of Head of the Physics Department at the University of Trento, since 2023. His present research focuses on Molecular Dynamics simulations of membrane proteins, modeling of organic materials in electronic devices (thin film transistors, organic photovoltaics), and molecular modeling of radiation damage in DNA, with more than 50 publications in peer-reviewed journals.

讲座题目：Integrating Molecular Simulations with Experiments: Challenges and Insights in Modeling Complex Biosystems

讲座内容：

Molecular dynamics (MD) simulations are pivotal for investigating biomolecular structure, dynamics, and interactions. Despite advances in accuracy and sampling, bridging atomistic and mesoscopic scales remains challenging, particularly when integrating simulation data with experimental observations.

In this talk, I will present case studies illustrating the power and limitations of multiscale modeling. Our work on pore-forming toxins (PFTs) has provided insights into membrane insertion and pore formation, aiding the understanding of bacterial virulence mechanisms. We have also explored the conformational dynamics of the sigma-1 receptor (σ1R), a key protein involved in stress response and disease modulation.

A third case study involves the EXO5 gene, encoding a DNA exonuclease implicated in repair processes and cancer susceptibility. By combining genomics, deep learning, and MD, we assessed the structural effects of common EXO5 haplotypes.

Finally, I will introduce the MIMOSA project, which pioneers a novel application of Atom Probe Tomography (APT) to biological samples. We developed an MD protocol to simulate the early embedding of biomolecules in silica, addressing unique challenges of this hybrid approach.

Together, these examples underscore the importance—and the complexity—of integrating molecular simulations into broader biological frameworks, and raise the question: how close are we to simulating entire cellular systems?

主办：研究生院

承办：生命科学与工程学院