Binding site for OR1B1.

primaryodors / primarydock

PrimaryOdors.org molecular docker.

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Closed primaryodors closed 11 months ago

primaryodors commented 11 months ago

OR1B1 now generates correct predictions for maltol and calone.

Miscellaneous important fixes included:

Predictions now has a cleaner UI with more options;
Fixed some critical bugs with the positioning of the ligand and alignment of best-binding pairs;
Altered path search code to omit duplicate rings of molecules;
Fixed bug that failed to recognize histidine as aromatic.

primaryodors commented 11 months ago

All tests succeeding.

primaryodors commented 11 months ago

All tests succeeding.