A Grid-enabled web portal for NMR structure refinement with AMBER.
A Grid-enabled web portal for NMR structure refinement with AMBER.
A Grid-enabled web portal for NMR structure refinement with AMBER.
Bioinformatics. 2011 Jul 14;
Authors: Bertini I, Case DA, Ferella L, Giachetti A, Rosato A
MOTIVATION: The typical workflow for NMR structure determination involves collecting thousands of conformational restraints, calculating a bundle of 20-40 conformers in agreement with them and refining the energetics of these conformers. The structure calculation step employs simulated annealing based on molecular dynamics...
nmrlearner
Journal club
0
07-16-2011 07:28 PM
Grid computing for improving conformational sampling in NMR structure calculation.
Grid computing for improving conformational sampling in NMR structure calculation.
Grid computing for improving conformational sampling in NMR structure calculation.
Bioinformatics. 2011 May 5;
Authors: Mareuil F, Blanchet C, Malliavin TE, Nilges M
MOTIVATION: Methods for automatic NMR structure determination need to face a high level of ambiguity encountered in NMR spectra recorded by solid-state NMR and by solution NMR of partially unfolded proteins, leading to time-consuming calculations. The software package Ambiguous Restraints for Iterative...
nmrlearner
Journal club
0
05-08-2011 04:35 AM
[NMR900 blog] SMARTER 2 Workshop
SMARTER 2 Workshop
Dear Colleagues,
We cordially invite you to the Second SMARTER Crystallography Workshop (Structure elucidation by coMbining mAgnetic Resonance, compuTation modEling and diffRactions), which will be held on 23-27 May 2011 at the University of Aveiro, Portugal.
The aim of this workshop is to bring together specialists from the different areas of materials science, such as materials chemists and processing engineers, diffraction and spectroscopy scientists, and computational structuralists, that may contribute to the development of a common language for a SMARTER...
nmrlearner
News from NMR blogs
0
03-04-2011 02:12 AM
SMARTER 2 Workshop
SMARTER 2 Workshop
Dear colleagues,
We cordially invite you to the 2nd SMARTER Workshop, which will be held on May 23-27, 2011 at the University of Aveiro, Portugal.
The aim of this workshop is to bring together specialists from the different areas of materials science, combining several approaches such as Computational Modelling, Diffraction Techniques and NMR Crystallographies.
Read more about SMARTER 2 Workshop at http://smarter.web.ua.pt/
nmrlearner
Conferences
0
01-28-2011 04:52 AM
Upcoming NMRCAVES Workshop
Upcoming NMRCAVES Workshop
A planned SMASH 2011 workshop will test NMR spectroscopy wizards
Source: Stan blog library
nmrlearner
Conferences
0
01-24-2011 04:04 AM
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries
The NMR restraints grid at BMRB for 5,266 protein and nucleic acid PDB entries
Abstract Several pilot experiments have indicated that improvements in older NMR structures can be expected by applying modern software and new protocols (Nabuurs et al. in Proteins 55:483â??186, 2004; Nederveen et al. in Proteins 59:662â??672, 2005; Saccenti and Rosato in J Biomol NMR 40:251â??261, 2008). A recent large scale X-ray study also has shown that modern software can significantly improve the quality of X-ray structures that were deposited more than a few years ago (Joosten et al. in J. Appl...
nmrlearner
Journal club
0
01-09-2011 12:46 PM
Intensive 2-Day NMR Workshop in NMR
Intensive 2-Day NMR Workshop in NMR
Online registration is now open. Please follow this link
Photos from the successful 2010 workshop can be found here
Director : Dr. Vasudevan Ramesh
Keywords: NMR Spectral Analysis and Interpretation, Computer-Aided Training, Problem-Based Learning.
Significance: Nuclear Magnetic Resonance (NMR) spectroscopy is a powerful, continually evolving analytical technique with wide applications in chemical, biological, pharmaceutical and medical sciences. This...
WeNMR Workshop - NMR applications on the GRID
Linear Mode
