/tools/KinaseDocker2

KinaseDocker2

APAJanssen/KinaseDocker2

GitHub
toolsmall-moleculeproperty-predictiondockingprotein
12 stars3 forksPythonAdded February 8, 2026
summary

KinaseDocker² is a computational tool that automates the docking and scoring of kinase inhibitors using a Deep Neural Network. It can be used as a PyMOL plugin or through the command line, leveraging GPU-accelerated docking methods.

description

A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction

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