Simulation studies of spherical nanoparticles in mesogenic media

submitted by: icamvid
Matt Glaser, University of Colorado at Boulder Abstract: We describe results from simulations of spherical nanoparticles in a nematogenic solvent consisting of soft spherocylinders. We find that nanoparticles remain well dispersed in the isotropic (low-density) phase of the solvent, but demix into a nanoparticle-poor nematic phase and a nanoparticle-rich isotropic phase at higher pressures. When the nanoparticle-spherocylinder interactions are modified to promote homeotropic anchoring, the...

Molecular dynamics simulation of liquid crystalline polymers: what can be achieved?

submitted by: icamvid
Jaroslav Ilnytskyi, Institute for Condensed Matter Physics Abstract: Polymeric liquid crystals combine the features of both the polymer and liquid crystal. Their fine-tuning is possible on the stage of synthesis which leads to a number of practical applications (high strength plastics, displays, optical data storage). We present some recent results in molecular dynamics simulations of such systems. Liquid crystalline dendrimer is studied in isotropic, nematic and smectic A solvent and we...

MSMBuilder: Open Source Software for Describing Dynamics with Markov State Models

submitted by: SimbiosMovies

Simbios talk given by Greg Bowman at Stanford University on April 22, 2009.

For information about Simbios seminars, please visit http://simbios.stanford.edu/

BioMD - Final presentation

submitted by: lciuffo

Molecular Dynamics Using Grid Environment: Application ported on the EELA-2 Grid during the 2nd EELA-2 Grid School.

Protein Dynamics Studies of Structure-Switching in Lymphotactin

submitted by: MaxShokhirev

What is lymphotactin and why do we care?
Coarse-Grained Molecular Dynamics (MD).
How can we use MD to study Lymphotactin?
Creating an online user-friendly coarse-grained molecular dynamics tool to help the next generation of scientists.

Drug Discovery: African Sleeping Sickness

linked profile(s): Rommie
submitted by: apryl

Rommie Amaro, Computational and Theoretical Biophysical Chemist, discusses how she uses the resources at SDSC to conduct her drug discovery research on African Sleeping Sickness. Originally posted by SDSC on SDSC's CI Channel at: www.cichannel.org