Receptor-Specific Allosteric Architectures Underlie GPCR Coupling Specificity Despite Conserved Activation Mechanisms
收藏DataCite Commons2026-01-19 更新2026-05-05 收录
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# Receptor G-protein subunit datasetThis repository contains the molecular dynamics (MD) simulation data used in the manuscript:"Receptor-Specific Allosteric Architectures Underlie GPCR Coupling Specificity Despite Conserved Activation Mechanisms"## ContentsThe dataset includes raw topology files (.pdb) and trajectory files (.dcd) for each system analyzed in the study, as well as the necessary checkpoint files to continue the MD simulations or restart from the point after minimization and equilibration.Additionally included are all MDPath processed outputs and renumbering to allow for easy replication of the findings showcased in the analysis.Each simulation subdirectory is organized by:- G-protein class- Protein/PDB## Directory StructureSupporting_Material/├── Gs/├── Gq/├── Gi/└── README## Example File NamingFor the MOR Gi-subunit bound system:- Supporting_Material/Gi/OPRM_8F7Q_PREPARED## UsageThese data files can be used to:- Reproduce the analyses in the manuscript- Perform additional studies based on this data
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Science Data Bank
创建时间：
2026-01-19
