The field of computational chemistry, particularly as applied to drug design, has become
increasingly important in terms of the practical application of predictive modeling to …

Virtual screening by molecular docking has become established as a method for drug lead
discovery and optimization. All docking algorithms make use of a scoring function in …

Chronic inflammation has long been associated with the development of cancer. Among the
various signaling pathways within cancer cells that can incite the expression of inflammatory …

We present high quality image synthesis results using diffusion probabilistic models, a class
of latent variable models inspired by considerations from nonequilibrium thermodynamics …

Recent breakthroughs in text-to-image synthesis have been driven by diffusion models
trained on billions of image-text pairs. Adapting this approach to 3D synthesis would require …

Surflex is a fully automatic flexible molecular docking algorithm that combines the scoring
function from the Hammerhead docking system with a search engine that relies on a surface …

This study explores the roles of genome copy number abnormalities (CNAs) in breast cancer
pathophysiology by identifying associations between recurrent CNAs, gene expression, and …

We have assembled arrays of approximately 2,400 BAC clones for measurement of DNA
copy number across the human genome. The arrays provide precise measurement (sd of …

We combine neural rendering with multi-modal image and text representations to synthesize
diverse 3D objects solely from natural language descriptions. Our method, Dream Fields …

Background Early studies suggest that radiofrequency-based renal denervation reduces
blood pressure in patients with moderate hypertension. We investigated whether an …