Organic–Inorganic Perovskites: Structural Versatility for Functional Materials Design

RNA Structural Variability and Functional Versatility Challenge RNA Structural Modeling and Design.

RNA’s rising stardom is well-justified by its structural variability and functional versatility. Indeed, besides RNA’s key role in the translational machinery, RNA is instrumental for the manipulation and regulation of genetic information. Because regulatory errors and altered RNA functions can trigger abnormal cellular events, RNA has also emerged as a strong drug target for treating a variety...

Structural flexibility and functional versatility of mammalian P450 enzymes.

P450 enzymes have evolved into a large superfamily that displays great diversity in substrate and product specificities by fixing the natural amino acid substitutions with high frequency. Site-directed mutagenesis has been used to correlate the substitutions with the diverse specificities in various P450s. As a result, the common residues that determine the specificities of various mammalian P4...

Materials design and development of functional materials for industry.

It is now well recognized that we are witnessing a golden age of innovation with novel materials, with discoveries that are important for both basic science and industry. With the development of theory along with computing power, quantum materials design-the synthesis of materials with the desired properties in a controlled way via materials engineering on the atomic scale-is becoming a major c...

Structural Characterization of New Perovskites

The structural science of functional materials

The growing complexity of functional materials and the major challenges this poses to structural science are discussed. The diversity of structural materials science and the contributions that computation is making to the field are highlighted.