VLA screening workflow (IMAGE)

Hokkaido University

VLA screening workflow

Caption

VLA screening workflow. A ligand class (left) is parameterized into a virtual ligand (middle left). Parameters are screened to produce a contour map (middle right), which is used to rationally design an optimal ligand (right). (Wataru Matsuoka, Yu Harabuchi, Satoshi Maeda. ACS Catalysis. March 13, 2022)

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Wataru Matsuoka, Yu Harabuchi, Satoshi Maeda. ACS Catalysis. March 13, 2022

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