| Name |
Title |
Notes/Role |
| Dr. Bernard Brooks |
Chief, Laboratory of Computational Biology |
LoBoS project oversite, planning, CHARMM development, and research direction. |
| Xiongwu Wu |
Staff Scientist |
Research focuses on developing computational methods to solve
complicated biological problems. This includes work on a series of
projects like protein folding, electron microscopy (EM) structure
determination, and macromolecular assembly modeling. |
| Wenjun Zheng |
Research Fellow |
Protein structure prediction and Normal Modes Analysis of the Elastic Network Model |
| Ye Che |
Visiting Fellow |
Drug design. |
| Jeff Klauda |
IRTA Fellow |
Researches force field design, lipid development, protein folding, and the study of transport mechanisms in membrane proteins. |
| George Stan |
IRTA Fellow |
Research interests include protein folding and carbon nanotubes. |
| Lee Woodcock |
IRTA Fellow |
My current and future research will primarily focus on developing and employing QM/MM methodology to explore
interesting problems that exist at the interface of chemistry and biology. |
| Erika Cobar |
Pre-IRTA |
QM and QM/MM studies of the mechanisms of transition metal catalysts and metalloenzymes. |
| Joe Larkin |
Pre-IRTA |
Protein structure determination and QM/MM modelling of enzyme catalyzed reactions. |
| Ed O'Brien |
Pre-IRTA |
Uses computational methods and statistical mechanical models to study protein aggregation, the effects of molecular crowding on proteins, and the molecular mechanisms of chemical denaturation of proteins. |
| Tim Miller |
System Administrator |
LoBoS system and network administration, planning, and Web site maintainence. |
Department of Health and Human Services
National Institutes of Health
National Heart, Lung, and Blood Institute