We gladly announce our two-day, hands-on, workshop
"Markov models and free energies from molecular dynamics (MD) simulation".
taking place in Berlin, September 3rd and 4th
http://page.mi.fu-berlin.de/molkin2015/pyEMMA.php
The workshop is organized and taught by the AG Computational Molecular
Biology of Prof. Frank Noé:
http://compmolbio.biocomputing-berlin.de/
For the workshop, we will be using PyEMMA (http://pyemma.org/), an
Open-Source python package designed for the easy construction of
Markov State Model (MSMs) of (bio)molecular MD data, which can
provide statistically sound kinetic insights (such as implied timescales,
transition networks, or metastable states) of almost any type of
MD-simulation data. The upcoming version we will also include support
for including data from biased or multitemperature simulations to compute
free energies efficiently.
The workshop will last two days, and will be comprised of presentations
on MSM-Theory, worked-out examples (in the for of ipython-notebooks) and
bring-your-problem sessions. Prior knowledge of MSMs is *not* needed,
however participants should be familiar with MD-simulation (and its
analysis). Basic notions in python will also be very helpful.
Since it is a free workshop, we can only offer limited places. Please register ASAP
if you are intending to come:
page.mi.fu-berlin.de/molkin2015/pyEMMA.php
Best,
--
Dr. Guillermo Pérez-Hernández
Freie Universität Berlin
Institute for Mathematics
Arnimallee 6
D-14195 Berlin
tel 0049 30 838 75776
http://userpage.fu-berlin.de/gph82/
--
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