A new 'crystalline sponge' for drug discovery: APF-80 illuminates materials design

Many natural compounds that act on the human body provide active ingredients for medicines or clues for developing them, and ...
IEEE

Inverse Design Method of Metal Structures in Multiport Waveguide Based on Numerical Green’s Function

Abstract: This article proposes an inverse design method based on numerical Green’s function (NGF-IDM) to achieve the intelligent and efficient design of waveguide devices. Inspired by the metal ...
IEEE

HighMPNN: A Graph Neural Network Approach for Structure-Constrained Cyclic Peptide Sequence Design

Abstract: Cyclic peptides become attractive therapeutic candidates due to their diverse biological activities. However, existing deep learning-based sequence design models, such as ProteinMPNN, are ...