Published on 16 August 2024

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

View Dataset
Hirao, 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.

Citations (0)

Mentions (0)

Metrics

Dataset Index

0.3

FAIR Score

13%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Zenodo

Assigned Domain

Subfield

Spectroscopy

Field

Chemistry

Domain

Physical Sciences

Confidence Score

45%

Source

Scholar Data Model

Normalization Factors

FT

15.38

CTw

1.00

MTw

1.00