Wecomput provides various computing and informatics services related to biomedicine, involving computational chemistry, computer-aided drug design, bioinformatics, chemoinformatics, molecular simulation, high-performance computing, Chinese Medicine Informatics, medical statistics, pharmacology and toxicology Informatics, etc.
- Computer Aided Drug Design
- Bioinformatics and Chemoinformatics
- Quantum Chemistry and Computational Chemistry
- High performance computing and Cloud computing
【regular service case】
- Molecular docking: protein-small molecule, protein-protein, protein-peptide, etc.
- Homology modeling: protein modeling, polymer protein modeling (homologous and heterologous), antibody modeling, etc.
- Molecular dynamics: dynamic simulation of protein-small molecule, protein-protein, etc.
- Virtual screening: virtual screening of the molecules in the ZINC library. All of Zinc’s commercial library compounds are available.
- Pharmacophore modeling: construct pharmacophores based on receptors or ligands for screening.
- 3D-QSAR modeling: 3D-QSAR model based on receptors or ligands.
- Drug design: Me-Too or Me-Better drug design based on structure.
- Drawing: protein-small molecule, protein-protein interaction mapping services.