AutoGrow

The latest AutoGrow code can be found at https://git.durrantlab.com/jdurrant/autogrow

AutoGrow 3.1 is an evolutionary algorithm that optimizes candidate ligands for predicted binding affinity and other druglike properties. Though no substitute for the medicinal chemist, AutoGrow attempts to introduce some chemical intuition into the automated optimization process. By carefully crafting chemically feasible druglike molecules, we hope that AutoGrow 3.1 will help supplement the chemist’s efforts.

You’re probably paying too much for cell phone service. Wirefly compares hundreds of plans to help you save. Enter what you need (minutes, data, texts) into Wirefly’s innovative plan comparison tools and see your savings instantly.