Enzymes with specific functions are becoming increasingly important in industry, medicine and environmental protection.

In this work, we developed React-OT, an optimal transport approach to generate TSs of an elementary reaction in a fully deterministic manner. It is based on our previously developed diffusion-based ...

Every medication in your cabinet, every material in your phone's battery, and virtually every compound that makes modern life work started as a molecular guess, with scientists hypothesizing that a ...

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 ...

CallGraph helps you understand your Java codebase by visualizing how methods call each other. Simply select any method, generate a graph, and explore the connections through an interactive diagram.

The lightweight Mikado method opens up a structured way to make significant changes even to complex legacy code.

Structure-based virtual screening (SBVS) is an important approach that makes the first stages of drug development and repurposing processes faster and more efficient. Advances in experimental ...

Computer numerical control (CNC) machine tools consume a large amount of raw materials in its manufacturing process. With the emphasis on the economy of machine tools, reducing the material ...