Open Access3-APS against BACE-1 target in Alzheimer’s disease; DFT calculations and molecular docking
Author(s) -
Sivanujan Suthaharan
Publication year - 2021
Publication title -
proceedings of 7th international electronic conference on medicinal chemistry
Language(s) - English
Resource type - Conference proceedings
DOI - 10.3390/ecmc2021-11444
Subject(s) - chemistry , dihedral angle , steric effects , hydrogen bond , mulliken population analysis , molecular orbital , docking (animal) , homo/lumo , natural bond orbital , stereochemistry , computational chemistry , ligand (biochemistry) , binding energy , active site , sulfonyl , crystallography , density functional theory , molecule , enzyme , organic chemistry , receptor , medicine , biochemistry , nursing , alkyl , physics , nuclear physics