For this project series, we are looking at dynamics of the CLC-2 chloride ion channel:
Malfunction of the CLC chloride ion channel has been correlated to many diseases and pathologies including myotonia, renal salt wasting, kidney stones, deafness, blindness, male infertility, leukodystrophy, osteopetrosis, lysosomal storage disease, defective endocytosis, as well as idiopathic epilepsy. Although implicated in numerous diseases, the physiological and pathophysiological mechanisms by which CLC defects lead to these diseases are poorly understood. The goal of this project is to design high affinity, highly selective small molecule inhibitors that can be used as molecular probes for elucidating these mechanisms.
Each project number varies only by initial positions (system is the same).
SPECIFICATIONS
63000 atoms
x21 GPU
2 runs
100 clones (1 us / clone)
250 gens (4 ns / gen)
16.7 deadline
3.0 timeout
0.75 k-factor
Thank you!
