Campus Event Calendar
Event Entry
New for: D1, D2, D3, D4, D5
What and Who
Interfacing Brownian dynamics -- a step towards the "virtual bio-lab"
Tihamer Geyer
Zentrum für Bioinformatik
Talk
AG 1, AG 2, AG 3, AG 4, AG 5
MPI Audience
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Date, Time and Location
Wednesday, 5 May 2004
16:15
-- Not specified --
46.1 - MPII
024
Saarbrücken
Abstract
The random fluctuating motion of macroscopic particles in a solvent, known
as Brownian motion, is well understood since Einstein's explanation nearly
a hundred years ago. Brownian dynamics has become a well established
simulation tool during the last 30 years. With the numeric power of actual
computers Brownian dynamics can now be used to describe the coupled motion
of hundreds of proteins on timescales of tens of microseconds.
This talk introduces Brownian dynamics itself as a simulation tool and
explains how interactions are modelled and what complications arise from
the underlying continuum-solvent description.
It is then shown how the scope of application of Brownian dynamics can be
extended greatly towards bigger systems and/or longer times by interfacing
it to a Master equation description of the surrounding volume or by
replacing parts of the simulation volume by a continuous diffusional
treatment.
Some simple examples highlight how with this novel approach rather large
and complex intracellular compartments might be simulated efficiently
while still providing (sub) molecular resolution where neccessary.
as Brownian motion, is well understood since Einstein's explanation nearly
a hundred years ago. Brownian dynamics has become a well established
simulation tool during the last 30 years. With the numeric power of actual
computers Brownian dynamics can now be used to describe the coupled motion
of hundreds of proteins on timescales of tens of microseconds.
This talk introduces Brownian dynamics itself as a simulation tool and
explains how interactions are modelled and what complications arise from
the underlying continuum-solvent description.
It is then shown how the scope of application of Brownian dynamics can be
extended greatly towards bigger systems and/or longer times by interfacing
it to a Master equation description of the surrounding volume or by
replacing parts of the simulation volume by a continuous diffusional
treatment.
Some simple examples highlight how with this novel approach rather large
and complex intracellular compartments might be simulated efficiently
while still providing (sub) molecular resolution where neccessary.
Contact
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Ruth Schneppen-Christmann, 06/29/2004 13:06 -- Created document.