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Workshop on computer simulations of soft matter and biosystems


Keynote Speakers

Prof. Dr. Alan Mark (Faculty of Biological & Chemical Sciences, University of Queensland, Australia)
Self-Assembly of Peptides and Membranes

Prof. Dr. Wilfred van Gunsteren (Laboratory of Physical Chemistry, ETH Zurich, Switzerland)
Methods to simulate biomolecular systems

Prof. Dr. Gerhard Gompper (Theoretical Soft-Matter and Biophysics, IFF, Forschungszentrum Jülich, Germany)
Soft Matter Hydrodynamics

Prof. Dr. Jeremy Smith (Computational Molecular Biophysics Group, IWR, Heidelberg University, Germany)
Dynamics of Protein Binding, Reaction, and Structural Change

Speakers

Prof. Helmut Grubmüller
Collective motions of biological macromolecules
Website

Dr. Kei Moritsugu
Langevin Model of Protein Dynamics
Website

Prof. Martin Zacharias
Nucleic acid and peptide conformation studied by molecular dynamics and advanced sampling methods
Website

Dr. Nick Kepper
Modeling Chromatin Fibers I: Effect of Nucleosome Geometry
Website

Prof. Gero Wedemann
Modeling chromatin fibers 2: effects of interactions between nucleosomes
Website

Jakob Schluttig
Modelling large protein clusters
Website

Prof. Walter Thiel
Correlated ab initio QM/MM studies of enzymes
Website

Prof. Reinhold Fink
New ab initio multi configuration approaches designed for QM/MM applications
Website

PD Nikos Doltsinis
Photoisomerisation in liquid azobenzene studied by nonadiabatic QM/MM simulations
Website

Dr. Christine Peter
Classical simulations from the atomistic to the mesoscale: coarse-graining an azobenzene containing liquid crystal

Jens Smiatek and Ulf D.Schiller
A new way of implementing partial slip boundary conditions
Website

Kai Grass
Electrohydrodynamics in bulk and in confined geometries
Website

Dr. Anthony Maggs
Aspects of fluctuation potentials in dielectrics
Website

PD Dirk Hennig
Cooperative escape dynamics of nonlinear oscillator chains

Dr. Ilona D. Kosinska
Transport in nanopores

Dr. Francois Nedelec
Modelling Microtubules Structures
Website

Dr. Alexey Zaikin
Proteamalg: a new tool for in vitro digestion assay performed by 20S immunoprotasome and PA28
Website

Dr. Esa Kuusela
Cytoplasm and integrin dynamics in a 2D continuum model for cell migration
Website

Dr. Björn Nadrowski
The physics of an ear

Posters

M. Mosayebi, M. Reza Ejtehadi
Significance of native state contact map topology in protein folding dynamics
Website

R. Fink, W. Thiel, B. Engels
QM/MM Characterisation of irreversible Inhibitors

Marcus Böckmann, Nikos Doltsinis, Dominik Marx
Probing the Photoswitch: Hybrid QM/MM AIMD Studies on Liquid Azobenzene
Website

Marcello Sega, Christian Holm
Simulating electroosmotic flow using Lattice Boltzmann technique

Srinivasaraghavan Kannan, Martin Zacharias
Exploring the Conformational Space of Biomolecules by Biasing Potential Replica Exchange Molecular Dynamics Simulations

Jeremy Curuksu - Krystyna Zakrzewska - Martin Zacharias
Advanced Molecular Dynamics and Umbrella Sampling of DNA bending and backbone dynamics

Denitsa Alamanova, Ines Hörger, Volkhard Helms
Brownian dynamics simulations on a lattice
Website

Karine Voltz, Tomasz Wocjan, Susanne Kunkel, Konstantin Klenin, Joanna Trylska, Valentina Tozzini, Vandana Kurkal, Jeremy Smith, Jörg Langowski
DNA dynamics on the nucleosome simulated by coarse-grained models

G. Kreth, J. Odenheimer, D.W. Heermann
Dynamic simulation of active and inactive chromatin domains

Manfred Bohn and Dieter W. Heermann
Chromosomes on Small and Large Scales

Ellen Reister-Gottfried, Stefan M. Leitenberger, and Udo Seifert
Lateral diffusion of proteins in fluctuating membranes
Website

David Minde
Designed Flexible Fusogenic Transmembrane Domains in TFE
Website

Georgi V. Pachov, Rebecca C. Wade
Simulation of linker histone in chromatin fiber
Website

U. Kleinekathöfer, S. Pezeshki. C. Chimerel, M. Winterhalter
Simulation of transport through OmpF channels
Website

Marcus B Kubitzki and Bert L. de Groot
Molecular Dynamics Simulations using Temperature Enhanced Essential dynamics Replica EXchange (TEE-REX)
Website

Rafael Gutierrez, Dmitry Ryndyk, Bo Song, and Gianaurelio Cuniberti
Conductance Properties of DNA molecular wires
Website

A Verma, S. M. Gopal and W. Wenzel
Towards a universal free energy forcefield for all atom protein folding
Website

OF Lange and H Grubmueller
Collective Langevin Dynamics of Conformational Motions in Proteins
Website

Benedix, de Groot, Caflisch, Böckmann
CONCOORD/PBSA: A Versatile Method for the Prediction of Mutant Free Energy & Structure
Website

Daniel Narzi and Rainer Böckmann
Dynamic Protonation State Analysis of Dsb Proteins
Website

Christoph Junghans, Michael Bachmann, Wolfhard Janke
Microcanonical analysis of polymer aggregation
Website

Gernot Guigas, Matthias Weiss
Size-dependent diffusion of membrane inclusions and non-equilibrium fluctuations of lipid bilayers as studied by mesoscopic simulations
Website

Pasichnyk Igor, Ralf Everaers
Simulating van der Waals-interactions in water/hydrocarbon-based complex fluids
Website


Last update 03/19/2007 by JS

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