NJIT Physics Department Seminar

January 26th, Monday

NMRlipids: Massively Collaborative Online Project to Improve Molecular Dynamics Simulations of Biomolecules

Dr. Markus Miettinen,

Freie Universitat Berlin, Germany

(Biophysics, Host: Dias)

Time: 11:45am-12:45pm with 11:30am tea time

Room: ECE202

Abstract:

I describe an experiment in open research collaboration that goes by the name NMRlipids. The scientific goal of the project is to collaboratively test the existing molecular dynamics models (known as force fields) against published, highly accurate, NMR order parameter data. We do this in a fully open way, using a simple blog as the collaboration platform. I present the 18-months-long history (of success) of the project, and on the way will highlight what we have found out considering the ability (or lack thereof) of the current force fields to correctly reproduce lipid structures.

For more on NMRlipids see: http://nmrlipids.blogspot.fi and http://arxiv.org/abs/1309.2131v2