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