Structures made out of building blocks can shift their shape and autonomously self-organize to a new configuration. The physicists revealed this mechanism which may be used to actively manipulate ...

Researchers have uncovered that an orthogonal molecular architecture directs the formation of a rare double-cable structure, ...

Distance geometry is an essential field in computational mathematics and structural biology, providing the theoretical foundation and practical algorithms required to reconstruct the three‐dimensional ...

On a Saturday afternoon in the fall of 2021, Silvio Decurtins was leafing through a paper with a title that could have been pulled from a comic book for mathematically inclined teens: “Plato’s Cube ...

Quantum chemistry uses quantum mechanics for the first-principle exploration of chemical systems. In principle, all chemical phenomena can be studied by solving the Schrödinger equation, the ...

SANTA FE, N.M.--(BUSINESS WIRE)-- OpenEye Scientific Software, Inc. (www.eyesopen.com), the developer of innovative molecular modeling and cheminformatics solutions for drug discovery, recently ...

"Since energy derivative calculations are used for not only molecular geometry optimizations but also various calculations for molecular properties, the application of our method is expected to play a ...