Resources

Program

Description

Reference

Paramagnetic probe patching server

Generate an N=10 ensemble structure for either one of the commonly used paramagnetic probes attached at a specific site of PDB structure

J Mol Biol, 432:2913-2929 (2020)

Ensemble structure refinement using CXMS data

Xplor-NIH scripts of ensemble structure refinement using CXMS data

J Biol Chem, 292,1187-1196 (2017)

Structure refinement using sPRE data

Xplor-NIH scripts of structure refinement using sPRE data

Methods, 148:48-56 (2018)

Structure-selection

Identifying the ensemble structure from experimental data

Methods, 148:48-56 (2018)

 

DynaXL

Generates the Xplor-NIH scripts for rigid-body ensemble refinement against CXMS data

J Biol Chem, 292,1187-1196 (2017)

sPRE-calc

Calculate the theoretical solvent PRE value based on PDB file

Angew Chem Int Ed, 56,1002-1006 (2017)