MOLREP: an Automated Program for Molecular Replacement

By A. Vagin, A. Teplyakov. 1997

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Citations in the corpus

Overview of the CCP4 suite and current developments (2011, methodology): “BALBES is based around the MR program MOLREP (Vagin & Teplyakov, 1997, 2010), while MrBUMP can also use the program Phaser (McCoy et al., 2007).”
Phaser crystallographic software (2007, methodology): “There is also a form of the correlation coefficient used by other MR translation function programs [AMoRe (Navaza, 1994) and MOLREP (Vagin & Teplyakov, 1997)].”
BALBES: a molecular-replacement pipeline (2007, background): “Although the input is sufficiently simple, the output files contain all the process information, including the results of the analysis of the data by SFCHECK, REFMAC and MOLREP.”
Replacement (1980, methodology): “In the ﬁnal stage of MrBUMP , the top search models are passed to MOLREP (Vagin & Teplyakov, 1997) and/or Phaser (McCoy et al. , 2005) for molecular replacement.”
Model preparation in MOLREP and examples of model improvement using X-ray data (2007, methodology): “MOLREP is an automated program for MR (Vagin & Teplyakov, 1997) where, along with the default protocol, there are various search strategies as options.”
The utility of comparative models and the local model quality for protein crystal structure determination by Molecular Replacement (2012, methodology): “For each method (MOLREP & AMORE) the 10 best orientations of a search model in AU were collected.”
Protonation‐mediated structural flexibility in the F conjugation regulatory protein, TraM (2006, methodology): “The TraM(58) (127)-E88L structure was solved by molecular replacement (Vagin and Teplyakov, 1997) using the wild-type structure as the search model.”
Crystal structure determination and refinement via SIR2014 (2015, methodology): “…methods are implemented, based on the simulated annealing (SA) approach (to be used when the molecular geometry is known; see Altomare et al., 2009) and molecularreplacement techniques (MR; see Rossmann, 1972; Navaza, 1994; Vagin & Teplyakov, 1997; Caliandro et al., 2006, 2009; McCoy et al., 2007).”
Structures of human MAP kinase kinase 1 (MEK1) and MEK2 describe novel noncompetitive kinase inhibition (2004, methodology): “The MEK2 structure was solved by molecular replacement using MEK1 as a search model with MOLREP in the CCP4 suit”
Crystal structure of the human FOXO3a-DBD/DNA complex suggests the effects of post-translational modification (2007, methodology): “The structure of the FOXO3a-DBD/DNA complex was determined using the molecular replacement method by the MolRep program ( 45 ).”