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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


Prof. Helmut Grubmüller
Collective motions of biological macromolecules

Dr. Kei Moritsugu
Langevin Model of Protein Dynamics

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

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

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

Jakob Schluttig
Modelling large protein clusters

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

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

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

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

Kai Grass
Electrohydrodynamics in bulk and in confined geometries

Dr. Anthony Maggs
Aspects of fluctuation potentials in dielectrics

PD Dirk Hennig
Cooperative escape dynamics of nonlinear oscillator chains

Dr. Ilona D. Kosinska
Transport in nanopores

Dr. Francois Nedelec
Modelling Microtubules Structures

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

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

Dr. Björn Nadrowski
The physics of an ear


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

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

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

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

David Minde
Designed Flexible Fusogenic Transmembrane Domains in TFE

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

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

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

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

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

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

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

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

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

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

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

Last update 03/19/2007 by JS

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