The value of accurate protein structural models closely conforming to the experimental data is indisputable. DREAMweb deploys an improved DREAM algorithm, DREAMv2, that incorporates a tighter bound in the constraint set of the underlying optimization approach. This reduces the artifacts while modeling the protein structure by solving the distance-geometry problem. DREAMv2 follows a bottom-up strategy of building smaller substructures for regions with a larger concentration of experimental bounds...
[NMR paper] Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling.
Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling.
Related Articles Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling.
Solid State Nucl Magn Reson. 2014 Dec 30;
Authors: Sardo M, Santos SM, Babaryk AA, López C, Alkorta I, Elguero J, Claramunt RM, Mafra L
Abstract
We present the structure of a new equimolar 1:1 cocrystal formed by...
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[NMR paper] NMR-Based Modeling and Refinement of Protein 3D Structures.
NMR-Based Modeling and Refinement of Protein 3D Structures.
Related Articles NMR-Based Modeling and Refinement of Protein 3D Structures.
Methods Mol Biol. 2015;1215:351-80
Authors: Vranken WF, Vuister GW, Bonvin AM
Abstract
NMR is a well-established method to characterize the structure and dynamics of biomolecules in solution. High-quality structures can now be produced thanks to both experimental advances and computational developments that incorporate new NMR parameters and improved protocols and force fields in the structure...
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[BMNRC community] NMR-based screening: a powerful tool in fragment-based drug discovery
NMR-based screening: a powerful tool in fragment-based drug discovery
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[NMR paper] Protein structure determination using a combination of comparative modeling and NMR s
Protein structure determination using a combination of comparative modeling and NMR spectroscopy. Application to the response regulator protein, Spo0F.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles Protein structure determination using a combination of comparative modeling and NMR spectroscopy. Application to the response regulator protein, Spo0F.
J Med Chem. 1997 Oct 10;40(21):3453-5
Authors: Podlogar BL, Leo GC, McDonnell PA, Loughney DA, Caldwell GW, Barrett JF
A practical...
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08-22-2010 05:08 PM
[NMR paper] A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of s
A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of substrate binding.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-acspubs.jpg Related Articles A model for human cytochrome P450 2D6 based on homology modeling and NMR studies of substrate binding.
Biochemistry. 1996 Apr 9;35(14):4540-50
Authors: Modi S, Paine MJ, Sutcliffe MJ, Lian LY, Primrose WU, Wolf CR, Roberts GC
The cytochrome P450 responsible for the debrisoquine/sparteine polymorphism (P450 2D6) has been produced in large...
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[NMR paper] Use of graph theory for secondary structure recognition and sequential assignment in
Use of graph theory for secondary structure recognition and sequential assignment in heteronuclear (13C, 15N) NMR spectra: application to HU protein from Bacillus stearothermophilus.
Related Articles Use of graph theory for secondary structure recognition and sequential assignment in heteronuclear (13C, 15N) NMR spectra: application to HU protein from Bacillus stearothermophilus.
Biopolymers. 1996 Nov;39(5):691-707
Authors: van Geerestein-Ujah EC, Mariani M, Vis H, Boelens R, Kaptein R
A computer-assisted procedure, based upon a branch of...
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[NMR paper] Graph-theoretical assignment of secondary structure in multidimensional protein NMR s
Graph-theoretical assignment of secondary structure in multidimensional protein NMR spectra: application to the lac repressor headpiece.
Related Articles Graph-theoretical assignment of secondary structure in multidimensional protein NMR spectra: application to the lac repressor headpiece.
J Biomol NMR. 1995 Jul;6(1):67-78
Authors: van Geerestein-Ujah EC, Slijper M, Boelens R, Kaptein R
A novel procedure is presented for the automatic identification of secondary structures in proteins from their corresponding NOE data. The method uses a branch...
DREAMweb: An online tool for graph-based modeling of NMR protein structure
Linear Mode
