Significant improvement in accuracy of multiple protein sequence alignments by iterative refinement as assessed by reference to structural alignments
O Gotoh - Journal of molecular biology, 1996 - Elsevier
… Another important feature in which multiple alignment is superior to more conventional
pairwise alignment is its reliability, because simultaneous comparison of many sequences can …
pairwise alignment is its reliability, because simultaneous comparison of many sequences can …
Computational protein structure refinement: almost there, yet still so far to go
M Feig - Wiley Interdisciplinary Reviews: Computational …, 2017 - Wiley Online Library
… One idea to overcome this conundrum may be the simultaneous use of multiple restraints148,
192 and/or adaptive restraints15, 89, 90 to limit sampling while still being able to reach the …
192 and/or adaptive restraints15, 89, 90 to limit sampling while still being able to reach the …
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. …
Ensemble refinement of protein crystal structures: validation and application
EJ Levin, DA Kondrashov, GE Wesenberg, GN Phillips - Structure, 2007 - cell.com
… of four proteins were selected from a total of 50 refined structures by choosing the structure
with … Five separate ensemble refinements were carried out for each protein by using different …
with … Five separate ensemble refinements were carried out for each protein by using different …
GalaxyRefineComplex: Refinement of protein-protein complex model structures driven by interface repacking
… In this work, we presented a method for refining protein-protein complex structures generated
by other docking programs. This method, called GalaxyRefineComplex, was compared …
by other docking programs. This method, called GalaxyRefineComplex, was compared …
Experimental accuracy in protein structure refinement via molecular dynamics simulations
… Refinement is the last step in protein structure prediction pipelines to convert approximate …
refinement. To explore the energy landscape between homology models and native structures …
refinement. To explore the energy landscape between homology models and native structures …
Methods for the refinement of protein structure 3D models
R Adiyaman, LJ McGuffin - International journal of molecular sciences, 2019 - mdpi.com
… The amino acid sequence and a 3D model (in Protein Data Bank (PDB) format) of the target
are the only required inputs to refine protein structures and the method has recently been …
are the only required inputs to refine protein structures and the method has recently been …
Experience with various techniques for the refinement of protein structures
J Deisenhofer, SJ Remington, W Steigemann - Methods in Enzymology, 1985 - Elsevier
… dard refinement technique in this laboratory is now, however, that of Jack and Levitt, 7.8
a procedure which minimizes simultaneously the X-ray residual and potential energy. This …
a procedure which minimizes simultaneously the X-ray residual and potential energy. This …
Parallel implementation of a protein structure refinement algorithm
JR Gunn, RA Friesner - Journal of computational chemistry, 1996 - Wiley Online Library
… for the refinement of reduced-model structures of proteins. A … of molecules can be
simultaneously simulated. The calculation … The results of the refinement are shown for the test …
simultaneously simulated. The calculation … The results of the refinement are shown for the test …
Joint X-ray/NMR structure refinement of multidomain/multisubunit systems
… refined structures can be calculated using simultaneously X-ray … of the protein matrix
metalloproteinase 1, for the protein … of protein G, thus indicating that no appreciable structural …
metalloproteinase 1, for the protein … of protein G, thus indicating that no appreciable structural …