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Questions related from Yun Shi
With Bruker's Topshim program, I have used the following command to shim every new sample: topshim z6 1d optsolvent coil=1H tuneb tunea Now I'd like to use IconNMR to automate this procedure,...
21 August 2019 1,325 5 View
Hi there, I have about ~1 million compounds to cluster. While calculating the fingerprints were relatively fast using Canvas on a desktop computer, I found clustering (by K-Means) very slow. For...
31 May 2018 6,490 6 View
Someone would define Critical Micelle Concentration (CMC) as the concentration of surfactants above which micelles form and all additional surfactants added to the system go to micelles. But...
13 October 2017 8,133 8 View
Hello all, I am running NMR for an aqueous peptide sample in 90% H2O/ 10% D2O. The 1D 1H spectrum collected from a WATERGATE 3-9-19 sequence looked great, with the intensity of peptide peaks being...
18 February 2016 9,983 6 View
Take a theoretical protein of 200 residues for example: there should be 240 N-H HSQC correlations (considering ASN, GLN, and et al) on NMR spectrum. However, due to the efficiency/efficacy of 15N...
10 February 2016 6,565 2 View
Hello everyone, I am trying to assign ~500 fluorinated compounds to different cocktails/samples so that there is no overlap even their chemical shifts change significantly (e.g. 30 Hz, or almost...
15 October 2015 3,650 4 View
On www.pdb.org, there are many structures with both proteins and corresponding ligands (small molecules) present. Usually, those ligands are assigned different three-letter codes (similar to other...
02 March 2015 8,611 3 View
I am using Mnova version 6 to analyze my NMR spectra. Can someone tell me how can I actually calculate S/N ratio within this program?
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