Hands-on Exercises: De Novo Evolution【De Novo Evolution in Combinatorial Mode】

引用

In this tutorial, a benzodiazepine scaffold, pre-docked in the active site HIV protease, will be used to generate a collection of ligands using the Combinatorial mode. Two link sites (R-group substitution sites) on the scaffold will be defined. A LUDI link library created based on a library of peptides will be used for fragment selection.

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