Molecular modeling is the application of theoretical and computational techniques to predict properties and interactions of molecular systems. The molecular modeling software Schrodinger Suite is available for free to the Tri-I community.
Resource Links for Schrodinger:
- company website: https://www.schrodinger.com
- software license download: https://intranet.tritdi.org/schrodinger/
The Tri-Institutional Therapeutics Discovery works with Schrodinger to provide free quarterly training for molecular modelling:
- training workshop schedule and registration: https://intranet.tritdi.org/schrodinger/webinars/
Other links:
- D E Shaw Research: https://www.deshawresearch.com
- OpenEye: https://www.eyesopen.com
- CCG: https://www.chemcomp.com
- Optibrium: https://www.optibrium.com
- CCDC: https://www.ccdc.cam.ac.uk
- OpenMM: https://simtk.org/projects/openmm
- ChEMBL database: https://www.ebi.ac.uk/chembl/
- CELPP (Continuous Evaluation of Ligand Protein Prediction): https://drugdesigndata.org//about/celpp