The first open-source implementation of Yau's Affine Normal Descent (YAND), a geometric optimization algorithm that derives search directions from the equi-affine normal of level-set hypersurfaces.

P450 and the docking energies from molecular docking of FDA-approved drugs against it. (a) The modelled protein structure of CYP5619A1. (b) The frequency and docking energy distribution of hit ...

Surfactants, which comprise hydrophobic and hydrophilic regions, self-organize to form complex molecular assemblies such as micelles, emulsions, and vesicles. This self-organization is responsible for ...

The study aims to examine the aggregation of proteins due to their association with various conformational problems including well-known neurodegenerative diseases like Alzheimer’s disease, ...

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Machine learning and deep learning have been widely embraced, and even more widely misunderstood. In this article, I’ll step back and explain both machine learning and deep learning in basic terms, ...