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primarydock
PrimaryOdors.org molecular docker.
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Fixes for FYG activation.
#402
Closed
primaryodors
closed
9 months ago
primaryodors
commented
9 months ago
Improvement of the positioning of the R6.59 side chain in class I ORs that have R6.59;
Improvement of the Y5.58~Y7.53 bridge;
Accuracy tetster for FYG activated PDBs;
Downward bend of EXR2 to allow full pivot of TMR6;
Improved calculation of protein internal clashes;
Positioning of 3.37 and 3.40 residues, along with binding site selection, improving predictions of OR1A1 and OR1D2;
Fix bug writing output files to wrong folder;
Clash minimization of EXR domains of all seven TM helices.
primaryodors
commented
9 months ago
All tests succeeding.
primaryodors
commented
9 months ago
δ-Decalactone in OR51E2.