Purposes.We have published a WEGA(Weighted Gaussian Algorithm)for molecular shape comparison,which is the engine of virtual drug screening.The algorithm is implemented in a single CPU system.Modern hi
A series of novel diarylpyrimidine with a halogen substituent on the methylene linker between wing I and the central pyrimidine were synthesized and evaluated for their anti-HIV activity in MT-4 cell
β-Secretase(BACE1)is a key enzyme in β-amyloid cascade hypothesis(Aβ hypothesis),one of the most popular pathophysiological mechanisms proposed for Alzheimiers disease(AD).Inhibitors targeting on BACE