The ability to alter protein binding can create tailored therapeutics with reduced side effects, sensitive diagnostic tools, ...

The starting point for all structure-based design work, whether ligand or protein based, is the choice of a suitable target. Antimicrobial-drug targets should be essential, have a unique function ...

Knowledge of the ligand-binding regions is also extremely valuable for structure-based drug design and biological hypothesis generation. Traditional methods for determining binding sites and ...

The ability to alter protein binding can create tailored therapeutics with reduced side effects, sensitive diagnostic tools, ...

Pharmacophore Models: Leveraging pharmacophore-based virtual screening, we elucidate key molecular features essential for ligand binding and design. By aligning ligand ... and organizations to ...

1). “Chemiverse helps to design novel drug candidates using chem-informatics, structure- and ligand-based analysis, and then proposes compounds with entirely new scaffold structures and lead ...

Scientists have used deep learning to design new proteins that bind to complexes involving other small molecules like ...