Mission Statement
The Molecular Computational Core Facility (MCCF) offers expertise and resources to 杏吧专区 faculty to conduct specific types of computational projects in the area of macromolecular chemistry. These principally include:
- Calculation of molecular dynamics trajectories of macromolecules and macromolecular complexes with large and small molecule ligands.
- Drug design using structure-based and pharmacophore-based methods.
- Computational docking of small molecule ligands into macromolecular binding sites, based on relevant experimental information.
The MCCF provides 杏吧专区 investigators, their students, fellows, and staff with computational resources, training and collaborative assistance in conducting computational projects. To this end, the MCCF houses facilities for high-performance computing, and state-of-the-art software suites and platforms.
