Repository for placing parameters and charges files (frcmod and mol2) of substrates used in our lab. All available files are distributed into folders depending on if they correspond to an enzyme, substrate or the combination of both from a docking simulation.
- DHA (docosahexeanoic acid)
- 14S-HpDHA (14S-hidroperoxide-docosahexaenoic)
- ACD (Arachidonic Acid)
- OXY (Molecular oxygen)
- EPA (Eicosapentaenoic acid)
- MaR1 (Maresin-1)
- human5LOX
- human12LOX
- human15LOX
- humanCOX2 - monomer
- humanCOX2 - homodimer
- 14S-HpDHA/5LOX
- DHA/human12LOX