Commits

Commits on Sep 6, 2024

LTA4 parameters
mikicanyelles
committedSep 6, 2024

Commits on Mar 1, 2024

Parameters for coordination sphere of 15LOX
alexpsnchz
authoredMar 1, 2024

Commits on Feb 21, 2024

Update README.md
mikicanyelles
authoredFeb 21, 2024
Upload of AF's human ALOX15 structure with cofactors and protonated at pH 7
mikicanyelles
authoredFeb 21, 2024

Commits on Oct 4, 2023

Force constants of dihedrals involving ce have been changed to 26.6
mikicanyelles
authoredOct 4, 2023

Commits on Jul 12, 2023

Update README.md
mikicanyelles
authoredJul 12, 2023
Add files via upload
mikicanyelles
authoredJul 12, 2023
Add files via upload
mikicanyelles
authoredJul 12, 2023
Create README.md
mikicanyelles
authoredJul 12, 2023

Commits on Apr 18, 2023

Add files via upload
alexpsnchz
authoredApr 18, 2023
Delete nonstandard_residues/acetylated_SER/radical_TYR directory
alexpsnchz
authoredApr 18, 2023
Delete nonstandard_residues/acetylated_SER/heme_group directory
alexpsnchz
authoredApr 18, 2023
Delete nonstandard_residues/acetylated_SER/heme_Fe_HIS directory
alexpsnchz
authoredApr 18, 2023
Add files via upload
alexpsnchz
authoredApr 18, 2023
Add files via upload
alexpsnchz
authoredApr 18, 2023

Commits on Apr 14, 2023

Commits on Nov 21, 2022

Update README.md
alexpsnchz
authoredNov 21, 2022
Add files via upload
alexpsnchz
authoredNov 21, 2022
Update README.md
alexpsnchz
authoredNov 21, 2022
Update README.md
alexpsnchz
authoredNov 21, 2022
Add files via upload
alexpsnchz
authoredNov 21, 2022

Commits on Jun 30, 2022

Update README.md
mikicanyelles
authoredJun 30, 2022
Delete OXY.mol2 out of folder
mikicanyelles
authoredJun 30, 2022
Create OXY.mol2
mikicanyelles
authoredJun 30, 2022
Delete OXY.frcmod
mikicanyelles
authoredJun 30, 2022
Upload parameters for molecular oxygen.
mikicanyelles
authoredJun 30, 2022
Add files via upload
mikicanyelles
authoredJun 30, 2022

Commits on Feb 18, 2022

Added the parameters and starting structure for the DHA/hum12LOX Michaelis complex. Added also the last frame of a 100 ns MM MD
mikicanyelles
committedFeb 18, 2022

Commits on Feb 17, 2022

Uploaded the parameters and coordiantes for the 14S-HpDHA/hum12LOX Michaelis Complex
mikicanyelles
committedFeb 17, 2022

Commits on Feb 14, 2022

Update README.md
mikicanyelles
authoredFeb 14, 2022
Added the pdb structures of human12LOX (from AlphaFold database) and of human5LOX
mikicanyelles
committedFeb 14, 2022