Alta Stomatology's computer-aided drug design platform is dedicated to applying various computer simulation technologies to accelerate drug discovery. It is based on disciplines such as physics, structural chemistry, medicinal chemistry, biochemistry, molecular biology, and utilizes theoretical foundations like quantum chemistry, molecular mechanics. By leveraging computer numerical calculations, logic, databases, graphics, artificial intelligence, the platform conducts structure-based drug design.
Computational chemistry technology primarily offers computational guidance and assistance for the design of small molecule drugs in chemistry. From target analysis, high-throughput screening analysis, hit compound discovery, lead compound discovery, lead compound optimization to drug-likeness prediction, computational chemistry can provide corresponding simulation analysis. The computational chemistry team at Alta Stomatology consists of several computational chemists with pharmaceutical experience, utilizing various advanced computational chemistry tools to provide one-stop services for the design, screening, and optimization of lead compounds for oral diseases.
Alta Stomatology's computational biology technology mainly provides computational guidance and assistance for the design of biological macromolecular drugs, such as peptides, nucleic acid drugs, and antibodies. Based on structure, computational tools can predict the binding between macromolecules and targets and help design and modify macromolecular drugs. For antibody drugs, computational tools can assist in antibody humanization, affinity maturation, property prediction, etc., greatly reducing the cost of traditional antibody design in the laboratory and shortening the research and development time.
Gaussian | GAMESS | VASP |
PyMOL | VMD | Quantum ESPRESSO |
NWChem | LAMMPS | GROMACS |
AutoDock | Rosetta | BLAST |
EMBOSS | DNA Sequencers | Protein Mass Spectrometers |
Fluorescence Microscopes | Flow Cytometers | Others |