Additional file 3 of Uncovering leading compounds for alzheimer’s disease treatment: mendelian randomization and virtual screening insights into plasma protein modulation
Bacterial adhesion to human epithelia via lectins constitutes a therapeutic opportunity to prevent infection. Specifically, BambL (the lectin from Burkholderia ambifaria) is implicated in cystic fibro
Crystal Structure of Human Beta Secretase in Complex with BFG356 Descriptor: (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secreta
In conventional fingerprint methods, the similarity between two molecules is calculated using the Tanimoto index as a numerical criterion. Thus, the query molecules in virtual screening should be most
Human BACE-1 in complex with 3-(1,1-dioxidotetrahydro-2H-1,2-thiazin- 2-yl)-5-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(1,2,3,4- tetrahydro-1-naphthalenylamino)propyl)benzamide Descriptor:
G protein-coupled receptors (GPCRs) are attractive targets for pharmaceutical research. With the recent determination of several GPCR X-ray structures, the applicability of structure-based computation
