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.


【regular service case】

  1. Molecular docking: protein-small molecule, protein-protein, protein-peptide, etc.
  2. Homology modeling: protein modeling, polymer protein modeling (homologous and heterologous), antibody modeling, etc.
  3. Molecular dynamics: dynamic simulation of protein-small molecule, protein-protein, etc.
  4. Virtual screening: virtual screening of the molecules in the ZINC library. All of Zinc’s commercial library compounds are available.
  5. Pharmacophore modeling: construct pharmacophores based on receptors or ligands for screening.
  6. 3D-QSAR modeling: 3D-QSAR model based on receptors or ligands.
  7. Drug design: Me-Too or Me-Better drug design based on structure.
  8. Drawing: protein-small molecule, protein-protein interaction mapping services.

【popular service】