GalaxyRefine2: simultaneous refinement of inaccurate local regions and overall protein structure
… protein structures simultaneously by iterative conformational sampling, unlike GalaxyRefine,
which was limited to local refinement… (18) and CASP13 refinement experiments. This server …
which was limited to local refinement… (18) and CASP13 refinement experiments. This server …
Simultaneous refinement of inaccurate local regions and overall structure in the CASP12 protein model refinement experiment
… In this study, we describe a new automatic refinement server method designed to improve
… overall structure simultaneously. Locally inaccurate regions may occur in protein structures …
… overall structure simultaneously. Locally inaccurate regions may occur in protein structures …
iATTRACT: Simultaneous global and local interface optimization for protein–protein docking refinement
CEM Schindler, SJ de Vries… - Proteins: Structure …, 2015 - Wiley Online Library
… we employ a structure-based potential with the unbound protein structure as reference, …
approach by refining rigid body docking candidates of a large number of protein complexes. …
approach by refining rigid body docking candidates of a large number of protein complexes. …
[HTML][HTML] Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences
… improved the agreement, and therefore the structure quality, even further. Upon simultaneous
refinement, a satisfactory low Q RDC was also obtained for the proteins cMMP1 and Ub …
refinement, a satisfactory low Q RDC was also obtained for the proteins cMMP1 and Ub …
Simultaneous determination of protein structure and dynamics
… of ensembles of protein conformations that represent simultaneously the native structure and
its … Finally, dynamic-ensemble refinement should substantially enhance our ability to design …
its … Finally, dynamic-ensemble refinement should substantially enhance our ability to design …
AssignFit: a program for simultaneous assignment and structure refinement from solid-state NMR spectra
Y Tian, CD Schwieters, SJ Opella… - Journal of Magnetic …, 2012 - Elsevier
… refinement cycle provides an approach for simultaneous assignment and structure refinement
(SASR) of proteins … with data from two integral membrane proteins, one α-helical and one β…
(SASR) of proteins … with data from two integral membrane proteins, one α-helical and one β…
Highly constrained multiple‐copy refinement of protein crystal structures
M Pellegrini, N Grønbech‐Jensen… - Proteins: Structure …, 1997 - Wiley Online Library
… crystals of two distinct proteins: a highly flexible protein, neurotrophin-3… simultaneously
refine 10 copies of the protein against the diffraction data. The final refined ensemble of structures …
refine 10 copies of the protein against the diffraction data. The final refined ensemble of structures …
3Drefine: Consistent protein structure refinement by optimizing hydrogen bonding network and atomic‐level energy minimization
D Bhattacharya, J Cheng - Proteins: Structure, Function, and …, 2013 - Wiley Online Library
… protein model47 simultaneous refinement of both the global topologies and local structural
qualities of a protein structure … -18 majority of the structure refinement protocols fail to achieve …
qualities of a protein structure … -18 majority of the structure refinement protocols fail to achieve …
Improved accuracy from joint X-ray and NMR refinement of a protein–RNA complex structure
… Some of us have thus recently developed an approach (REFMAC-NMR) based on the
simultaneous refinement of structural models against X-ray and NMR experimental data. (32) This …
simultaneous refinement of structural models against X-ray and NMR experimental data. (32) This …
Protein structure refinement by optimization
M Carlsen, P Røgen - Proteins: Structure, Function, and …, 2015 - Wiley Online Library
… 13, 14, but here we focus on near native structural refinement and the metric training allows
us to work on many (here 924 nonhomologous) proteins and all their decoys simultaneously. …
us to work on many (here 924 nonhomologous) proteins and all their decoys simultaneously. …
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