机译:Deciphering the Molecular Mechanism of Inhibition of beta-Secretase (BACE1) Activity by a 2-Amino-imidazol-4-one Derivative
Thapar Inst Engn & Technol;
Alzheimer's disease; Aspartic dyad; beta-secretase (BACE1); MD simulations; Small-molecule inhibitor; AMYLOID PRECURSOR PROTEIN; ALZHEIMERS-DISEASE FACTS; PARTICLE MESH EWALD; 54A7 FORCE-FIELD; A-BETA(42) MONOMER; CRYSTAL-STRUCTURES; FLAP; SITE; FLEXIBILITY; PROTOFIBRIL;