BP 32: Computational Biophysics II
Friday, March 21, 2025, 09:30–13:00, H46
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09:30 |
BP 32.1 |
From slabs to cubes: finite size effects in biomolecular simulations — •Rodrigo F. Dillenburg and Martin Girard
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09:45 |
BP 32.2 |
Interactions of Imidazolium with Elastin-Like Polypeptides: A Molecular Dynamics Study — •Julia Keil and Nico F. A. van der Vegt
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10:00 |
BP 32.3 |
Graphite-based Bio-mimetic Nanopores for Protein Sequencing and Beyond — •Chandan K. Das and Maria Fyta
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10:15 |
BP 32.4 |
Helical transition of protein chain: An in silico study — •tika ram bhandari and martin girard
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10:30 |
BP 32.5 |
Towards modeling cellular environments from cryo-electron tomography by high-confidence 3D template matching — •Sergio Cruz-León, Jan Philipp Kreysing, Maziar Heidari, Beata Turoňová, Martin Beck, and Gerhard Hummer
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10:45 |
BP 32.6 |
Membrane insertion and channel formation of alpha-latrotoxins — •Andreas Heuer, Azadeh Alavizargar, Björn U. Klink, and Cristos Gatsogiannis
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11:00 |
BP 32.7 |
Understanding the impact of functionalized gold nanoparticles (AuNPs) on the lipid bilayer and interfacial water through atomistic molecular dynamics simulations — •Haifa Al Mamari, Srinivasa Varanasi, and Issam Ali
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11:15 |
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15 min. break
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11:30 |
BP 32.8 |
Swimming by spinning: spinning-top type rotations regularize sperm swimming into persistently progressive paths in 3D — •Xiaomeng Ren and Hermes Bloomfield-Gadêlha
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11:45 |
BP 32.9 |
Simulating Trypanosome Motility — •Florian Overberg, Gerhard Gompper, and Dmitry Fedosov
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12:00 |
BP 32.10 |
Leveraging quantum data to advance machine-learning in (bio)molecular simulations — •Leonardo Medrano Sandonas, Mirela Puleva, Gianaurelio Cuniberti, and Alexandre Tkatchenko
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12:15 |
BP 32.11 |
Calibrating 1D-0D Coupled Blood Flow Models: the potential of Neural Network based Surrogates — •Benedikt Hoock and Tobias Köppl
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12:30 |
BP 32.12 |
MolecuTas: an ML platform for refining quantum properties and bioactivity of complex molecules — •Vicente Domínguez Arca, Jannis Krüger, Álvaro Vallejo Bay, Thomas Hellweg, and Luis Taboada Antelo
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12:45 |
BP 32.13 |
Ab-initio optimization and AI-powered inference for parametrizing complex biological models under low data availability — •Thomas R. Sokolowski
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