Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding

Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding

The structure of representative LSD No. 3, the structure of representative LSD No. 6, the structure of representative LSD No. 7, the initial structure of OR9Q2, SMILES of decoys used for docking, the python script of LSD analysis, the parameter file of colabfold, the output file of CHARMM-GUI, the p...

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Hauptverfasser: Hirao, Takumi, Ihara, Yusuke, Ijichi, Chiori, Kudo, Genki, Yoshino, Ryunosuke, Hirokawa, Takatsugu
Format: Dataset
Sprache:eng
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Zusammenfassung:The structure of representative LSD No. 3, the structure of representative LSD No. 6, the structure of representative LSD No. 7, the initial structure of OR9Q2, SMILES of decoys used for docking, the python script of LSD analysis, the parameter file of colabfold, the output file of CHARMM-GUI, the parameter file of virtual screening test and the parameter file of production MD are deposited in this dataset.
DOI:10.5281/zenodo.10999820