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TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

MR-REX (Molecular Replacement by Replica-EXchange Monte Carlo simulation) is a method for performing molecular replacement in X-ray crystallography diffraction. The method is designed to search for the optimal placement of target structural models through replica-exchange Monte Carlo simulations; this enables cooperative rotation and translation movements, and simultaneous clash and occupancy optimization, which can often improve the success rate of molecular replacement on low-accuracy structure models, compared to traditional MR approaches. The input for the MR-REX program is a protein structure and a cif structure factor file, where output contains multiple structural conformations of the target protein structure placed in the unit cell (see an example of MR-REX output. Questions and suggestions about the MR-REX server can be posted at the Service System Discussion Board, where some members will study and answer the questions accordingly.

MR-REX On-Line


[Click here for an example input] [Click here for an example output]

MR-REX download
Reference

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