How to determine the conformation of cis-cyclohexyl derivative by NMR?

1 1 4k
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This cis-cyclohexyl derivative with two big substitutes (A and B) may has two conformational isomers, 1 and 2. How to ...
Evgeny Fadeev 5771 Apr 05 '10 at 12:36

How to set up Gaussian pulse to satisfy desired bandwidth?

1 1 11488
answers votes views
Hello, posting this on behalf of my friend. The goal is to set up a gaussian shaped pulse so that bandwidth is X Hertz...
Evgeny Fadeev 5771 Apr 02 '10 at 13:15

Is there a tool to manage NOE and other restraint lists for the structure calculations?

1 0 4k
answers votes views
Hello, I'm currently working on solving a peptide NMR solution structure using NIH-XPLOR. I find myself a lot starting ...
Ilango 171 Apr 02 '10 at 05:45

Is value of default channel power ignored in Bruker systems for the shaped pulses?

1 0 31975
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Hello, been editing a wiki page on the subject and this question occurred: For a Bruker pulse sequence in the following...
Tony Bielecki 131 Mar 30 '10 at 19:11

What NMR experiments can be used to detect hydrogen bonds?

3 1 13423
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Hello, what NMR experiments can detect hydrogen bonds directly? Is there anything that can work with non-labeled sample...
Evgeny Fadeev 5771 Mar 29 '10 at 15:43

Software to model a 9-mer peptide that binds divalent metals and may oligomerize?

1 1 11523
answers votes views
I'm gearing up for a project in which we're looking at the structure of a short peptide that should fold upon binding di...
Evgeny Fadeev 5771 Mar 18 '10 at 09:32

Is there a way to measure scalar coupling when lines are broad?

1 1 5k
answers votes views
Hello, we have a peptide where amide peaks are broad and there is no hint of observable coupling with HA protons (no dis...
jkurutz 131 Mar 16 '10 at 14:59

Is there a script that converts Sparky .list files to XPLOR input format?

1 1 5k
answers votes views
I have 5 different RDCs that I've extracted using simple perl scripts and Sparky .list files. I want to use XPLOR for s...
Evgeny Fadeev 5771 Mar 15 '10 at 14:37

How do you determine error on the peak position?

2 0 11230
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Hello, could anyone suggest a method to determine error (maybe standard deviation or some other estimate) of a peak posi...
sekhar Talluri 621 Mar 14 '10 at 08:46

How should molecule flexibility affect NOE distance restraint calibration?

1 0 7k
answers votes views
How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it i...
Evgeny Fadeev 5771 Mar 13 '10 at 18:48
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