Algorithms
Leucine-Rich Repeat Serine-Threonine Protein Kinase-2/Metabolism/Chemistry/Antagonists & Inhibitors

Subpocket Similarity-Based Hit Identification for Challenging Targets: Application to the WDR Domain of LRRK2.

We herewith applied a priori a generic hit identification method (POEM) for difficult targets of known three-dimensional structure, relying on the simple knowledge of …

Eguida, M.
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Drug Design

Estimating the Similarity between Protein Pockets.

With the exponential increase in publicly available protein structures, the comparison of protein binding sites naturally emerged as a scientific topic to explain observations or …

Eguida, M.
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