SKM 2023 –
wissenschaftliches Programm
BP 3: Computational Biophysics I
Montag, 27. März 2023, 09:30–13:00, BAR 0106
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09:30 |
BP 3.1 |
Elucidating the Binding Process of a Disordered Protein to a Membrane Containing Ionic Lipids via Atomistic Simulations: a Case Study of LKB1 — •Azadeh Alavizargar and Andreas Heuer
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09:45 |
BP 3.2 |
Migration of oxygen in the human bc1 complex and the behavior of QH2 and Q cofactors inside it — •Katarina Kretschmer, Malena Kottke, and Ilia Solov'yov
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10:00 |
BP 3.3 |
On the road to cellular digital twins of in vivo tumors — •Eric Behle, Julian Herold, and Alexander Schug
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10:15 |
BP 3.4 |
Resolving hierarchical interactions of proteins in phase-separated condensates by multi-scale simulations — •Lukas Stelzl, Kumar Gaurav, Xiaofei Ping, Arya Changiarath Sivadasan, René Ketting, and Dorothee Dormann
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10:30 |
BP 3.5 |
Hauptvortrag:
Resolving gating and allosteric modulation in ion channels through simulations and small-angle neutron scattering — •Erik Lindahl
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11:00 |
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15 min. break
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11:15 |
BP 3.6 |
Clustering Molecular Dynamics Trajectories using Density and Flux — •Jayashrita Debnath and Gerhard Hummer
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11:30 |
BP 3.7 |
Enhancing Traction-Force Microscopy with Machine Learning — •Felix S. Kratz, Lars Möllerherm, and Jan Kierfeld
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11:45 |
BP 3.8 |
Finding pathways in molecular dynamics simulations using machine learning and graph methods — •Steffen Wolf, Miriam Jäger, Victor Tänzel, Simon Bray, Matthias Post, and Gerhard Stock
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12:00 |
BP 3.9 |
Artificial Intelligence for Molecular Mechanism Discovery — •Hendrik Jung, Roberto Covino, A Arjun, Christian Leitold, Peter G Bolhuis, Christoph Dellago, and Gerhard Hummer
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12:15 |
BP 3.10 |
MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 vs. Slipids — •Anika Wurl and Tiago Ferreira
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12:30 |
BP 3.11 |
Scission criteria upon proteins X-ray absorption — •Carlos Ortiz-Mahecha, Lucas Schwob, Sadia Bari, and Robert Meissner
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12:45 |
BP 3.12 |
Fluid defomable surfaces, the influence of surface viscosity in fluid membranes — Veit Krause and •Axel Voigt
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