Virtual screening methods fall broadly into two categories: ligand- and structure-based. Ligand-based virtual screening doesn’t require a target protein structure, Instead, it leverages known active ...

Crystal structures underpin the physical properties of materials, while intermetallic compounds—characterised by well‐defined stoichiometries and ordered arrangements of metallic elements—offer a rich ...

Honghui Hu of Wanhuida Intellectual Property considers the impact of the structure-activity relationship on the inventiveness assessment of pharmaceutical compounds Bayer Intellectual Property GmbH ...

A method has been discovered to easily predict the structure of materials using intuitive information such as the electrical properties or size of atoms without complex computational calculations. The ...

To date, solving structures of potential therapeutics using X-ray diffraction (XRD) has been an assumed, pivotal step in the drug development process. But a recent paper by a team of researchers led ...

Ionic bonds are very strong so the melting point of an ionic compound is high. Ionic compounds do not conduct electricity in the solid state because their ions are unable to move about. However, if an ...

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