Lawrence Berkeley National Laboratory / PHENIX Consortium
Info
Scientist in the MBIB Division at LBNL and core PHENIX developer. Principal author of eLBOW (Electronic Ligand Builder and Optimisation Workbench), the ligand geometry and restraint generation tool used across PHENIX for handling non-protein components including drug candidates. Also central to PHENIX restraint libraries and carbohydrate handling.
Key Relationships
- Paul Adams — PHENIX consortium lead
- David Case (Rutgers) — AMBER force-field background informs PHENIX restraints
- eLBOW — principal author
- PHENIX Consortium — LBNL core team alongside Pavel Afonine, Dorothee Liebschner, Billy Poon, Oleg Sobolev, Peter H. Zwart
- Ligand restraint community intersection with CCDC (Colin Groom) and LVW 2015 discussions
Sources
- PHENIX team page: https://phenix-online.org/people