Cross docking test with rDock

Esben Jannik Bjerrum/ September 13, 2016

Last time i tested the basics of the docking program rDock; Installation, basic setup and docking, as well as had a brief walkthrough about how to post-process

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Test drivin' rDock

Esben Jannik Bjerrum/ September 5, 2016

rDock is an open source docking program, trying to solve the same kind of scientific questions as Autodock Vina, which I have covered in a couple of

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Ligand docking with Smina

Esben Jannik Bjerrum/ April 28, 2016

Moleculer Docking is a powerful technique for studying potential ligand-receptor interactions. It can be done with free tools. In this blog post I showcase the docking program

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Safer fitting through regularization

Esben Jannik Bjerrum/ January 6, 2016

Last time a simple multiple linear regression (MLR) model was seriously overfitted to molecular solubility data. This time the concept of regularization will be tested. Recall that

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