Willy Wriggers Activities and Interests

As a full-time member of D.E. Shaw Research (DESRES), I work in a collaborative "think tank" like environment with other senior theoretical and computational researchers. I'm interested in statistical sampling of molecular dynamics (MD) trajectories as well as simulated folding and the prediction of large scale domain movements of biomolecules. We are mainly focused on basic research questions related to long-time MD simulations. 

Thanks to a very generous contract at DESRES I am also able to pursue independent interests in my free time. I hold an academic appointment as associate professor at Weill Cornell Medical College where I have studied coarse grained and continuum elastic models relevant in cell biology and systems biology.

Here is a list of software projects I am currently involved in:

• TimeScapes MD trajectory analysis tools (at DESRES).
• ModeHunter elastic network model tools (at WCMC).
• Situs Popular UNIX-based multi-scale docking suite which I developed with coworkers since 1999.
• Sculptor Multi-scale molecular graphics and modeling program developed since 2001.

You can read more about my long-term research interests at our research history page.

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