Contact the AWSEM-MD developers

This page lists the people who have active or past projects involving AWSEM-MD. All general inquiries should be directed to Garegin Papoian.

Lead developer:

Aram Davtyan, Postdoctoral Research Fellow, Department of Chemistry, The University of Chicago

Projects: Multi-scale molecular modelling. Development and implementation of coarse-grained and mesoscopic simulation methods. Modelling of protein-protein and membrane-protein interactions.

Active Developers:

Nicholas P. Schafer, Postdoctoral Research Fellow, Biophysics, Aarhus University

Email: npschafer (at) gmail.com

Projects: Protein structure prediction and frustration analysis. Protein-protein interactions. Protein misfolding and aggregation. Cold and pressure denaturation. Optimization of molecular and evolutionary model parameters using databases of protein structures and sequences. Structure-based models. Experimental and computational characterization of membrane protein stability and folding.

Hao Wu, Biophysics PhD Candidate, University of Maryland, College Park

Email: haowu (at) terpmail.umd.edu

Projects: AWSEM-IDPs: a coarse-grained force field for intrinsically disordered proteins; Protein-DNA interactions in nucleosomes.

Past Developers:

Weihua Zheng, Postdoctoral Research Fellow, Biophysics, Rice University

Email: weihua.zheng (at) gmail.com

Projects: I am using AWSEM to study protein-protein interactions, protein folding, misfolding and aggregation. My current interests focus on Abeta protein and its possible interactions with APOE, as well as polyQ that is involved in Huntington's disease. I am also applying frustratometer to large assemblies such as Adeno-associated virus capsid (AAV).

Bobby Kim, Postdoctoral Research Fellow, Biophysics, Rice University

Projects: Membrane protein folding.