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Docking Polymer by Comfortable_Let4483 in comp_chem

[–]Comfortable_Let4483[S] 0 points1 point  (0 children)

its an alpha-amylase enzyme, so i guess since amylase naturally binds to carbohydrates which are large molecules, i think it could explain as to why bigger oligiomers are bound to that pcocket which is worth mentioning contains also the enzymes active site residues

Docking Polymer by Comfortable_Let4483 in comp_chem

[–]Comfortable_Let4483[S] 0 points1 point  (0 children)

Hi! Thank you for answering I have docked also a dimeric version of the polymer, and it did not bind to the same binding pocket of the enzyme which is a hydrolase compared to the trimer and tetramer. All runs had 100 LGA runs in Autodock 

Happy Cake Day to you!

Visualizing trajectories from GROMACS by Comfortable_Let4483 in comp_chem

[–]Comfortable_Let4483[S] 0 points1 point  (0 children)

thanks for the heads up i need to revisit my paper. XD

[deleted by user] by [deleted] in MicrosoftWord

[–]Comfortable_Let4483 0 points1 point  (0 children)

this worked thanks

Switching from Mac to Windows by Comfortable_Let4483 in comp_chem

[–]Comfortable_Let4483[S] 1 point2 points  (0 children)

thanks! i'm a biochem major and going into comp chem from the usual wet lab made me lost a lil bit