Data supporting: "Calcium-driven In Silico Inactivation of a Human Olfactory Receptor"
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下载链接：
https://zenodo.org/record/10589509
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资源简介：
In this repository we deposited trajectories and input files for the paper "Calcium-driven In Silico Inactivation of a Human Olfactory Receptor".
The data is organised as follow:
DATA:
CA / NA / NO_IONS / NEUTRAL
centroid.pdb # centroid calculated with GMX
step5_input.gro # input file from CHARMM GUI
topol.top # topol file from CHARMM GUI
MDPs # folder containing mdp files from CHARMM GUI
toppar # folder containing topology files from CHARMM GUI
TRJs:
CA / NA / NO_IONS / NEUTRAL
ref.pdb # reference pdb file
trj1.xtc # trajectory from replica 1
trj2.xtc # trajectory from replica 2
trj3.xtc # trajectory from replica 3
trj4.xtc # trajectory from replica 4
trj5.xtc # trajectory from replica 5
trj6.xtc # trajectory from replica 6 (NEUTRAL only)
创建时间：
2024-03-19
