Computational Biophysics and Chemistry Symposium
In-Person Event
Date: Friday, September 22nd, 2023
Time: 8:30am ET
Location: Boston University Hillel, 213 Bay State Rd., Boston (Registration form below.)
The symposium will be taking place in the 4th floor River Room. The poster session will be taking place on the 2nd floor in the lounge/gallery of Hillel.
Event description: In an effort to develop and extend international research collaborations, BU’s Center for Computational Science will be hosting a Computational Biophysics and Chemistry Symposium featuring presentations by six leading researchers from various institutes in Japan. The Symposium will be held Friday, September 22, 2023. In addition to the talks outlined below will feature presentations from BU researchers, as well as a poster session highlighting research by our students and post-docs. This event is organized by the Hariri Institute for Computing and co-sponsored by the Center for Computational Science.
Agenda:
| Begins | Ends | Presenter | Talk Title |
|---|---|---|---|
| 08:30 | 9:00 | Welcome Breakfast and Introductory Remarks | |
| 9:00 | 9:30 | Hideki Nakamura (Kyoto University) | “Towards arbitrary manipulation of organelles and condensates inside living cells” |
| 09:30 | 10:00 | Mary Dunlop (Boston University) | “Optogenetic feedback control of gene expression in single cells” |
| 10:00 | 10:30 | Kenji Sugase (Kyoto University) | “Analysis of the effect of flow on proteins at the atomic level” |
| 10:30 | 11:00 | Coffee Break | |
| 11:00 | 11:30 | Tsuyoshi Yamaguchi (Nagoya University) |
“Liquid-liquid phase separation studied by reference interaction site model integral equation theory” |
| 11:30 | 12:00 | John Ngo (Boston University) | “Structure guided strategies for defining and fine-tuning mechanotransduction in cells” |
| 12:00 | 13:30 | Lunch | |
| 13:30 | 14:00 | Toshifumi Mori (Kyushu University) | “Elucidating the conformational dynamics of proteins during enzyme catalysis from molecular simulations” |
| 14:00 | 14:30 | Norio Yoshida (Nagoya University) |
“Solvation and structural fluctuation of protein: a statistical mechanics approach” |
| 14:30 | 15:00 | Naotaka Sekiyama (Kyoto University) | “Exploring structural details of disease-associated mutations in intrinsically disordered proteins” |
| 15:00 | 16:00 | Coffee and posters | |
Poster Presentations:
(1) “Sensitive and selective polymer condensation at membrane surface driven by positive co-operativity.”
Presenter: Zhuang Liu, PhD Student, Physics
(2) “Untangling the Interactions Between Nanoplastics and Fluid Lipid Membranes Through Multiscale Simulation.”
Presenter: Zeke Piskulich, Postdoctoral Fellow, Chemistry
(3) “The Role of Structural Heterogeneity in the Homodimerization of Transmembrane Proteins.”
Presenter: Ayan Majumder, PhD Student, Chemistry
(4) “Energy Transfer Tuning in the Peridinin-Chlorophyll a-Protein.”
Presenter: Monja Sokolov, Postdoctoral Fellow, Chemistry
(5) “Membrane remodeling by biomolecular condensates: A coarse-grained simulation study.”
Presenter: Sayantan Mondal, Postdoctoral Fellow, Chemistry
(6) “Second-Shell Residues Contribute to Catalysis by Predominately Preorganizing the Apo State in PafA.”
Presenter: Jiahua Deng, PhD Student, Chemistry
(7) “eMAP: An online tool for the identification of electron/hole transfer pathways in biomolecules.”
Presenter: Alyssa Kranc, PhD Candidate, Computational Chemistry
(8) “Characterizing the transmembrane domains of ADAM10 and BACE1 and the impact of membrane composition.”
Presenter: Conor Abraham, PhD Student, Chemistry
(9) “Complete Computational Mechanism of Foldamer-Catalyzed Aldol Condensation.”
Presenter: Reilly Osadchey Brown, PhD Candidate, Computational Chemistry
(10) “Molecular mechanism of interface induced stability of FUS-LC fibril.”
Presenter: Sonjay Paul, Postdoctoral Fellow, Chemistry
(11) “Charge transport through microbial nanowires.”
Presenter: Veronika Storozhilova, PhD Student, Computational Chemistry
(12) “E-FTMap: A computational method for the fragment-based functional characterization of binding hot spots on protein surfaces”
Presenter: Omeir Khan, PhD Candidate, Chemistry
For questions, please contact David Coker, Professor of Chemistry, Affiliate, Physics, and Materials Science and Engineering, Director, Center for Computational Science at coker@bu.edu
For administrative questions, please contact Katherine D’Angelo, Assistant Director, Programs and Events, at ktd@bu.edu.