Berlin 2018 –
scientific programme
BP 12: Computational Biophysics I
Tuesday, March 13, 2018, 09:30–13:00, H 1058
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09:30 |
BP 12.1 |
Langevin modeling of targeted molecular dynamics: a novel approach to calculate equilibrium free energies from non-equilibrium simulations — •Steffen Wolf and Gerhard Stock
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09:45 |
BP 12.2 |
Refolding dynamics of molecular constructs after a force quench — •Ken Schäfer and Gregor Diezemann
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10:00 |
BP 12.3 |
G-PCCA - a generalized Markov state modeling approach for both equilibrium and non-equilibrium systems — •Bernhard Reuter, Konstantin Fackeldey, Susanna Röblitz, Marcus Weber, and Martin E. Garcia
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10:15 |
BP 12.4 |
Structural-kinetic relationships determine consistent interpretations of coarse-grained peptide kinetics — •Joseph Rudzinski and Tristan Bereau
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10:30 |
BP 12.5 |
Invited Talk:
Microtubule assembly governed by tubulin allosteric gain in flexibility and lattice induced fit — •Maxim Igaev and Helmut Grubmüller
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11:00 |
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15 min. break
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11:15 |
BP 12.6 |
Specific RNA-cation interactions: Individual binding site affinities from molecular dynamics simulation — •Sergio Cruz-León and Nadine Schwierz
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11:30 |
BP 12.7 |
On the nature of cytosine pairing in DNA structures — Miriam Kohagen and •Jens Smiatek
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11:45 |
BP 12.8 |
Loop formation of polyglutamines in the PRIME20 model — •Arne Böker and Wolfgang Paul
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12:00 |
BP 12.9 |
Pro32 isomerisation effects on β2-microglobulin: a Metadynamics investigation — •Maria Celeste Maschio, Federico Comitani, Carla Molteni, and Stefano Corni
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12:15 |
BP 12.10 |
Metadynamics Simulations of the Fibrinogen Protomer — •Timo Schäfer, Lorenz Ripka, Friederike Schmid, and Giovanni Settanni
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12:30 |
BP 12.11 |
Integration of SAXS Data into Biomolecular Simulations — •Marie Weiel, Ines Reinartz, and Alexander Schug
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12:45 |
BP 12.12 |
Terminal Electron-Proton Transfer Dynamics coupled to Quinone reduction in Respiratory Complex I — •Ana Patricia Gamiz-Hernandez, Alexander Jussupow, Mikael P. Johansson, and Ville R. I. Kaila
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