Services

Services provided are listed below. Please visit the contact page to describe your project and get a price estimate.

Computational Chemistry and Cheminformatics

  • Virtual compound screening

  • Cheminformatics studies

  • Molecular docking and scoring

  • Ligand interaction analysis

  • Molecular mechanics with generalised Born and surface area solvation (MM-GBSA)

Molecular Modeling

  • Homology modeling

  • Target analysis

  • Binding site prediction

  • Molecular dynamics (MD) simulations

  • Analysis of MD results

Protein Crystal Structure Solving

  • Data indexing, integration, and scaling

  • Phasing via molecular replacement (MR)

  • Model building

  • Refinement

  • Density map averaging

  • Omit density calculation

Publication Figure Generation

  • 2D compound, drug or ligands

  • 3D ligand-interaction diagrams or maps

  • Electron density maps

  • Figures for supporting information

Other Consultation Services

  • Biochemical assay development (fluorescence and absorbance based assays)

  • Protein crystallization screening and optimization

  • Cryo-crystallography

  • Diffraction data collection