Are Free Energy Perturbation (FEP) methods suitable for your project?
There are a number of key data requirements that are necessary for an FEP project to have the best chance ...
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The increasing availability of protein crystal structures continues to have a huge effect on drug discovery, improving the ability to recognize key protein ligand interactions. The ability to generate bespoke crystallographic data on a project can highlight additional chemistry opportunities that can propel a project forward in new directions. However, like all data, the information must be processed and analyzed to ensure the reliability of the structure and that the maximum information is obtained. This process is covered by the general method of protein preparation.