GeNMR (GEnerate NMR structures) is a web server for template-based or ab initio generation of 3D protein structures using NOE-derived distance restraints and NMR chemical shifts. The web server produces an ensemble of PDB coordinates within a period ranging from 20 minutes to 4 hours, depending on protein size, server load, quality and type of experimental information, and selected protocol options.
Descriptive Review of Current NMR-Based Metabolomic Data Analysis Packages
Descriptive Review of Current NMR-Based Metabolomic Data Analysis Packages
Publication year: 2011
Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 21 February 2011</br>
Jose L., Izquierdo-García , Palmira, Villa , Angelos, Kyriazis , Laura del, Puerto-Nevado , Sandra, Pérez-Rial , ...</br>
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02-22-2011 11:00 AM
Error tolerant NMR backbone resonance assignment and automated structure generation.
Error tolerant NMR backbone resonance assignment and automated structure generation.
Error tolerant NMR backbone resonance assignment and automated structure generation.
J Bioinform Comput Biol. 2011 Feb;9(1):15-41
Authors: Alipanahi B, Gao X, Karakoc E, Li SC, Balbach F, Feng G, Donaldson L, Li M
Error tolerant backbone resonance assignment is the cornerstone of the NMR structure determination process. Although a variety of assignment approaches have been developed, none works sufficiently well on noisy fully automatically picked peaks to enable...
[NMR paper] Druggability indices for protein targets derived from NMR-based screening data.
Druggability indices for protein targets derived from NMR-based screening data.
Related Articles Druggability indices for protein targets derived from NMR-based screening data.
J Med Chem. 2005 Apr 7;48(7):2518-25
Authors: Hajduk PJ, Huth JR, Fesik SW
An analysis of heteronuclear-NMR-based screening data is used to derive relationships between the ability of small molecules to bind to a protein and various parameters that describe the protein binding site. It is found that a simple model including terms for polar and apolar surface area,...
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11-25-2010 08:21 PM
[NMR paper] Generation of native-like protein structures from limited NMR data, modern force fiel
Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling.
Related Articles Generation of native-like protein structures from limited NMR data, modern force fields and advanced conformational sampling.
J Biomol NMR. 2005 Jan;31(1):59-64
Authors: Chen J, Won HS, Im W, Dyson HJ, Brooks CL
Determining an accurate initial native-like protein fold is one of the most important and time-consuming steps of de novo NMR structure determination. Here we demonstrate that high-quality...
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11-24-2010 11:14 PM
[NMR paper] The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.
The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.
Related Articles The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.
Chem Biol. 1999 Oct;6(10):755-69
Authors: Fejzo J, Lepre CA, Peng JW, Bemis GW, Ajay , Murcko MA, Moore JM
BACKGROUND: Recently, it has been shown that nuclear magnetic resonance (NMR) may be used to identify ligands that bind to low molecular weight protein drug targets. Recognizing the utility of NMR as a very sensitive method for detecting binding, we have...