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The CXMS model was obtained by refining against 17 theoretical inter-molecular cross-links.
The ensemble structures of ubiquitin homodimer were calculated by refining against A intermolecular CXMS restraints or B intermolecular NMR restraints.
Starting from the structures for free PP2Ac (PDB code 2NYL) and IGBP1 (PDB code 3QC1) proteins, we obtained their complex structures by refining against the CXMS distance restraints.
The ensemble structures obtained by refining against the CXMS restraints may be compared to those obtained from other biochemical and biophysical methods, such as paramagnetic relaxation enhancement (Tang et al. 2006) and small-angle X-ray scattering (Schneidman-Duhovny et al. 2012; Kikhney and Svergun 2015).
Recently, Schröder, Levitt and Brunger reported that the quality of low-resolution structural models was improved by refining against a potential function that incorporated an energy term based on deformable elastic networks [8].
Refining against inter-subunit paramagnetic NMR data, we show that free K63-Ub2 exists as a dynamic ensemble comprising multiple closed and open quaternary states.
Similar(53)
Models of SUR1 ABC transporter module were refined against the focused refined map in respective states.
Specifically, models of Kir6.2 transmembrane domain and SUR1 TMD0 were refined against the focused refined map of transmembrane domain in the ATP + GBM state.
DOI: http://dx.doi.org/10.7554/eLife.05421.015 When the molecular replacement model of thermolysin was refined against the post-refined data, we observed a well-connected electron density feature in the mF o -DF c map near the active site.
Models of Kir6.2 CTD were refined against maps after focused classification and refinement of Kir6.2 CTD in the ATP + GBM state.
Structures were solved by molecular replacement using PHASER (McCoy et al., 2007) and were refined against maximum likelihood targets using restrained refinement and TLS protocols implemented in REFMAC (Murshudov et al., 1997).
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