R package for protein-ligand docking
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8 weeks ago

Hi there, I searched on the net for any packages in R that would help me perform molecular docking specifically small molecule -protein docking, however, I couldn't find any. Does anybody have any idea about such kind of packages? I am aware python has. For example pyRosetta, pyGold, etc. Aren't there any in R? TIA

R small molecule docking • 109 views
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8 weeks ago

Have a look at rDock and RxDock.

EDIT: typo

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Hey Jean, I checked both of them but I am afraid these are not the packages that could be used in R studio, right?

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No they are command line programs but I thought they might have R bindings.

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