To greatly expand the druggable genome, fast and accurate predictions of cryptic sites for small molecules binding in target proteins are in high demand. In this study, we have developed a fast and simple conformational sampling scheme guided by norm...
Neural networks : the official journal of the International Neural Network Society
Dec 5, 2020
The biological visual system includes multiple types of motion sensitive neurons which preferentially respond to specific perceptual regions. However, it still keeps open how to borrow such neurons to construct bio-inspired computational models for m...
Neural networks : the official journal of the International Neural Network Society
Dec 5, 2020
Knowledge graph reasoning aims to find reasoning paths for relations over incomplete knowledge graphs (KG). Prior works may not take into account that the rewards for each position (vertex in the graph) may be different. We propose the distance-aware...
The popularity of machine learning (ML) across drug discovery continues to grow, yielding impressive results. As their use increases, so do their limitations become apparent. Such limitations include their need for big data, sparsity in data, and the...
A hydrophilic interaction (HILIC) ultra-high performance liquid chromatography (UHPLC) with triple quadrupole tandem mass spectrometry (MS/MS) method was developed and validated for the quantification of 21 free amino acids (AAs). Compared to publish...
Best practice & research. Clinical gastroenterology
Dec 5, 2020
Artificial intelligence (AI) for luminal gastrointestinal endoscopy is rapidly evolving. To date, most applications have focused on colon polyp detection and characterization. However, the potential of AI to revolutionize our current practice in endo...
Central nervous system disorders remain the leading causes of mortality and morbidity worldwide, affecting more than 1 billion patients. This therapeutic area suffers from high unmet medical needs and the search for innovative approaches to identify ...
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