Enhancing X-Ray Crystallography with Molecular Dynamics Simulations X-ray crystallography provides a snapshot of a molecule. This works well for rigid structures, like crystals, but it cannot completely capture a structure with moving parts, like a protein. In this video, Simbios postdoctoral fellow, Timothy Fenn, PhD, describes how he has integrated molecular dynamics simulations with x-ray crystallography to address this problem. More Dr. Fenn's method is available as part of a software package called Force Field X, available at http://simtk.org/home/ffx. Read more about this method in the article "Polarizable Atomic Multipole X-Ray Refinement: Particle Mesh Ewald Electrostatics for Macromolecular Crystals" (http://pubs.acs.org/doi/abs/10.1021/ct100506d).

Assessing clinical and economic benefits of biocomputational models Using biomechanical simulations to improve treatments for children with cerebral palsy More research videos

OpenMM Visiting Scholars Program: Apply to visit Simbios at Stanford University for 4 weeks to work with experts on your OpenMM molecular dynamics project.

Events: See our list of upcoming workshops and other events of interest, as well as highlights of past events.

• Virtual Physiological Human study groups on cancer models, multiscale models of the skeleton, and multiphysics modeling of the cardiovascular system, May 7-11, 2012 at UPF, Barcelona, Spain

Simbios Strategy Statement on Multiscale Modeling

Supported by the National Institutes of Health through the NIH Roadmap for Medical Research Grant U54 GM072970. Information on the National Centers for Biomedical Computing can be obtained from http://nihroadmap.nih.gov/bioinformatics.