The Medicinal and Synthetic Chemistry Core (ChemCore) provides synthetic chemistry, medicinal chemistry and computational chemistry and molecular modeling services. For more information about this facility, click here.
Services Available at this Facility
- Hit-to-lead medicinal chemistry and library synthesis for hit compound follow-up
- Design and synthesis of targeted analogs with improved potency, PK, and IP properties
- Synthesis of small numbers of hypothesis-driven compounds
Featuring high-performance computing powered by four NVIDIA Tesla K40 GPU accelerators, bringing together accelerated processing with powerful computational abilities for exceptional screening speed.
- High throughput virtual screening of diverse libraries for novel therapeutic targets
- Structure-based pharmacophore design, 3D-4D and higher order
- QSAR model building
- Scaffold hopping and de novo design
- Construction of protein homology models and 3-D analysis
- High level quantum mechanical computations of small molecules
- State-of-the-art software from Schrödinger, Tripos and Accelrys with parallel processing LINUX-based workstations