PKC Pharmaceuticals is working very hard to try and not only remedy the issues that have come out of the Bosutinib issue described in previous posts and in other media outlets, but to also really understand what went wrong, what...
[Ryan's blog] The Bosutinib Isomer- A Case for NMR ASV?
Source: Ryan's blog
The Bosutinib Isomer- A Case for NMR ASV?
I've already described the Bosutinib fiasco in my last entry, and finished with a teaser that we would be back for more commentary on this topic. We plan a series of tests of our algorithms and systems to see if...
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nmrlearner
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06-04-2012 04:54 PM
[Ryan's blog] Bosutinib: A Case of What Could Have Been?
Source: Ryan's blog
Bosutinib: A Case of What Could Have Been?
For many years I have been looking for a high profile public case that represents a good example of why an automated NMR structure verification system can help prevent bad things from happening. We all know these types of examples...
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nmrlearner
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05-30-2012 01:40 AM
[NMR paper] A strategy for the NMR characterization of type II copper(II) proteins: the case of t
A strategy for the NMR characterization of type II copper(II) proteins: the case of the copper trafficking protein CopC from Pseudomonas Syringae.
Related Articles A strategy for the NMR characterization of type II copper(II) proteins: the case of the copper trafficking protein CopC from Pseudomonas Syringae.
J Am Chem Soc. 2003 Jun 18;125(24):7200-8
Authors: Arnesano F, Banci L, Bertini I, Felli IC, Luchinat C, Thompsett AR
CopC from Pseudomonas syringae was found to be a protein capable of binding both Cu(I) and Cu(II) at two different...
nmrlearner
Journal club
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11-24-2010 09:01 PM
[NMR paper] 15N NMR relaxation as a probe for helical intrinsic propensity: the case of the unfol
15N NMR relaxation as a probe for helical intrinsic propensity: the case of the unfolded D2 domain of annexin I.
Related Articles 15N NMR relaxation as a probe for helical intrinsic propensity: the case of the unfolded D2 domain of annexin I.
J Biomol NMR. 2001 Jan;19(1):3-18
Authors: Ochsenbein F, Guerois R, Neumann JM, Sanson A, Guittet E, van Heijenoort C
The isolated D2 domain of annexin I is unable to adopt a tertiary fold but exhibits both native and non-native residual structures. It thus constitutes an attractive model for the...
nmrlearner
Journal club
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11-19-2010 08:32 PM
[NMR paper] A systematic case study on using NMR models for molecular replacement: p53 tetrameriz
A systematic case study on using NMR models for molecular replacement: p53 tetramerization domain revisited.
Related Articles A systematic case study on using NMR models for molecular replacement: p53 tetramerization domain revisited.
Acta Crystallogr D Biol Crystallogr. 2000 Dec;56(Pt 12):1535-40
Authors: Chen YW, Clore GM
Molecular replacement using search models derived from nuclear magnetic resonance (NMR) spectroscopy has often proved problematic. It has been known for some time that the overall differences in atomic positions (r.m.s.d.)...
nmrlearner
Journal club
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11-19-2010 08:29 PM
[Ryan's blog] A Case for more NMR, and maybe even Automated Structure Verification?
Source: Ryan's blog
A Case for more NMR, and maybe even Automated Structure Verification?
I've spent a lot of time over the past couple of years visiting both scientists and directors in Pharma and having discussions around the concept of automated structure verification, whether or not there is enough characterization being done on screens,...
nmrlearner
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08-21-2010 08:57 PM
[Ryan's blog] From FID to Structure in 30 Minutes? Investigating the CASE Limiting Step
Source: Ryan's blog
From FID to Structure in 30 Minutes? Investigating the CASE Limiting Step
In yesterday's post I pointed you to an article that has become the most accessed article of all time in the Journal of Cheminformatics, co-authored by representatives of ACD/Labs. This article is a very comprehensive outline of the different approaches,...
What is Bosutinib? A Case for CASE
Linear Mode
