Resources
Computational Resources
High-Performance Computing (HPC) Clusters
Researchers at MMCG have access to state of the art computational hardware, including the UConn High Performance Computer cluster with CPU/GPU capabilities and queue types.
Software Suites
Licensed packages include Schrödinger Suite, Gaussian, ORCA, Quantum ESPRESSO, NAMD, Amber, GROMACS, VMD.
Collaborative Tools and Pipelines
Modeling Workflows
Protein preparation and QM/MM optimization,” “ligand docking and binding free energy estimation,” “MD simulation setup and analysis.”
Sample Projects
Recent successful collaborations: …