Simulating molecular movement gives a more accurate view of binding sites.
OpenMM provides a common interface for doing MD simulations on GPUs
Filling a gap in single molecule experimental work
OpenSim 2.0 promises greater opportunities for customization
LoopTK samples and visualizes many conformations of a protein loop to better understand loop movement
Confidence boost for modelers
AMOEBA's polarizable force field now integrated with OpenMM