Computers

Target-Focused Library Design by Pocket-Applied Computer Vision and Fragment Deep Generative Linking.

We here describe a computational approach (POEM: Pocket Oriented Elaboration of Molecules) to drive the generation of target-focused libraries while taking advantage of all …

Eguida, M.

Comparing transmembrane protein structures with ATOLL.

SUMMARY: The 3D structure of transmembrane helices plays a key role in the function of membrane proteins.

Jacquemard, C.