Protein Modeling and Target Prioritization By applying MolSoft's acclaimed ICM modeling tools we can build three-dimensional models and fully evaluate several candidate target genes.
Example projects might include:
- Building and optimization of three-dimensional model for each target of interest based on existing homologues with known structure.
- Identifying all potential 'drugable' sites and pockets in a protein crystal structure or model.
- Evaluating model errors and structural flexibility around sites of interest.
- Docking all known ligands to the binding sites of a target to validate a ligand binding pocket model.
- Re-docking the ligands to flexible representations of binding sites to improve the pocket models for further virtual ligand screening.
- Investigating the structural effects of mutations on a protein structure.
- Prediction of protein-protein interfaces and interactions using MolSoft's ICM protein-protein docking software. Read about some success stories here.