Columbia’s Jung-Chi Liao seeks pathways within proteins using AlloPathFinder, a Simbios tool he co-developed while at Stanford.
Erik Lindahl of Stockholm University uses OpenMM to speed up molecular simulations of membrane proteins and takes inspiration from Simbios’ professional approach to software development as he continues developing and maintaining GROMACS.
OpenMM provides a common interface for doing MD simulations on GPUs
The Principal Investigators weigh in
Alain Laederach of the Wadsworth Center counts on Simtk.org as a long term software and data repository and says Simbios’ dissemination efforts will pay off.
Postdocs get a glance at the entire field and their first inside view of NIH grant-making
Simulating molecular movement gives a more accurate view of binding sites.