GalaxyRefine2: simultaneous refinement of inaccurate local regions and overall protein structure

GR Lee, J Won, L Heo, C Seok - Nucleic acids research, 2019 - academic.oup.com
protein structures simultaneously by iterative conformational sampling, unlike GalaxyRefine,
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

GR Lee, L Heo, C Seok - Proteins: Structure, Function, and …, 2018 - Wiley Online Library
… 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

iATTRACT: Simultaneous global and local interface optimization for proteinprotein 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. …

[HTML][HTML] Simultaneous use of solution NMR and X-ray data in REFMAC5 for joint refinement/detection of structural differences

M Rinaldelli, E Ravera, V Calderone… - … Section D: Biological …, 2014 - scripts.iucr.org
… 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 …

Simultaneous determination of protein structure and dynamics

K Lindorff-Larsen, RB Best, MA DePristo, CM Dobson… - Nature, 2005 - nature.com
… of ensembles of protein conformations that represent simultaneously the native structure and
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…

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

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 …

Improved accuracy from joint X-ray and NMR refinement of a protein–RNA complex structure

A Carlon, E Ravera, J Hennig, G Parigi… - Journal of the …, 2016 - ACS Publications
… 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 …

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. …