Published on 16 August 2024
Molecular simulation-based 3D structural construction of olfactory receptor with agonist binding
View DatasetHirao, Takumi;Ihara, Yusuke;Ijichi, Chiori;Kudo, Genki;Yoshino, Ryunosuke;Hirokawa, Takatsugu
Description
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.
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Publication Details
Subfield
Spectroscopy
Field
Chemistry
Domain
Physical Sciences
Confidence Score
45%
Source
Scholar Data Model