Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...

Structure-based drug design is the design and optimization of a chemical structure with the goal of identifying a compound suitable for clinical testing — a drug candidate. It is based on ...

A 2D mechanically interlocked polymer mimicking chainmail shows high flexibility and stiffness, offering promise for ...

Researchers at Westlake University have disclosed a two-dimensional (2D) mechanically interlocked polymer (MIP) that mimics ...

As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials ...

Researchers at Monash University have introduced a new water filtration technology that could shift the fight against PFAS – ...

In a striking demonstration of molecular control, a team of scientists has harnessed light to reverse the twist in self-assembling molecules. The study identifies how trace residual aggregates in ...

Two-dimensional transition metal dichalcogenides (TMDCs), as a new generation of semiconductors with the potential to surpass the limitations of silicon-based technology, have long lacked empirical ...

Department of Chemistry, University of New Mexico, Albuquerque, New Mexico S7131-1096, USA Current Address: Department of Chemistry, Kansas State University, Manhattan, Kansas 66506-3701, USA ...

Scientists in China have discovered a better way to build small, high-performance electronic parts using ultra-thin materials called 2D semiconductors. These materials are only a few atoms thick and ...