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.
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Equipment / Supplies Available at this Facility
Equipment / Supplies 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