Alkenes and their derivatives are featured widely in a variety of natural products,
pharmaceuticals, and advanced materials. Significant efforts have been made toward the …

Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …

AD is a progressive neurodegenerative disorder and a leading cause of dementia in an
aging population worldwide. The enormous challenge which AD possesses to global …

Alzheimer's disease (AD) is the most prevalent form of dementia which affects people older
than 60 years of age. In AD, the dysregulation of the amyloid-beta (Aβ) level leads to the …

Successful deep learning critically depends on the representation of the learned objects.
Recent state-of-the-art pharmaceutical deep learning models successfully exploit graph …

In the big data era, voluminous datasets are routinely acquired, stored and analyzed with the
aim to inform biomedical discoveries and validate hypotheses. No doubt, data volume and …

BACE1 (β-secretase, memapsin 2, Asp2) has emerged as a promising target for the
treatment of Alzheimer's disease. BACE1 is an aspartic protease which functions in the first …

A gold‐catalyzed cascade annulation of propargylic silyl ethers with anthranils proceeds
through a sequential ring opening/1, 2‐H‐shift/protodeauration/Mukaiyama aldol cyclization …

Alzheimer's disease (AD) is a severe neurodegenerative disorder and the most common
type of dementia in the elderly. The clinical symptoms of AD include a progressive loss of …

Fragment-based drug discovery (FBDD) has become established in both industry and
academia as an alternative approach to high-throughput screening for the generation of …