IFD-MD 2022-2

The domain of applicability of structure-based drug design (SBDD) is limited by the difficulty of obtaining a reliable receptor-ligand structure. The dominant method of obtaining a structure (x-ray crystallography) is both expensive and time consuming. In some cases such as membrane proteins or GPCR's obtaining a structure would be difficult if not impossible.IFD-MD is able to obtain an accurate structure to use in SBDD more quickly and easily than experimental determination.

• Category High Performance Scientific/Technical Computing (HPC)
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