List of Researchers, the identifying part of their recent WU names, and the type of research the work falls into.
CMYBKIX - Cancer, Neural disorders (amyloid fibril diseases such as Alzheimer’s and Parkinson’s)
CMYB_equil - Cancer
NATHAN_KIDKIX - Methods, Cancer and Neural disorders
NATHAN_KID - Methods
MG2EC - Neural Disorders
BI_3 - Diabetes and drug target binding generally.
NOELIA_KLEBE - Methods and drug discovery
FXArep, FXA, TRPS1S4 - Thrombosis
NTL - Methods (folding)
BARNA - Methods
SDOERR_VillinAdapt - Methods
SDOERR_BenAdapt - Methods
A2AR (A2A Adenosine Receptor) - Neural disorders (drug development target for neurodegenerative conditions) - Video of Result
CXCL12_chalcone_umbrella (short) - Cancer and Methods
CXCL12_BestUmbrella_chalcone (long) - Cancer and Methods
3HHM-1/ZINC (CPU work) - Cancer
DUDHIVPR - Methods (App testing on completed HIV related work)
opi (opioid receptors) - Neural disorders
NTL (ntl9) - Methods
KKAL4 - cancer
Some older, published work:
2HDQ - Methods
P. Bisignano, S. Doerr, M. J. Harvey, A. Favia, A. Cavalli and G. De Fabritiis,
Kinetic characterization of fragment binding in AmpC β-lactamase by high-throughput molecular simulations, J. Chem. Inf. Model., 2014, 54 (2), pp 362–366.
BenAdapt - Methods
S. Doerr and G. De Fabritiis,
On-the-fly learning and sampling of ligand binding by high-throughput molecular simulations, submitted (2013).
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