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

1 1 10413
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...
Posted: jkurutz 131 / Updated: Evgeny Fadeev 5771 Mar 18 '10 at 09:32

Are there ways to explain magnetic-field dependent chemical shift?

4 1 12683
answers votes views
Hi everyone, I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NM...
Posted: Guga Hollows 11 / Updated: Arkadiusz Leniak 238 May 31 '14 at 15:46

For the RDC analysis - how to tell when the sample is acceptable/useful?

4 1 14842
answers votes views
I have a rather simple question - What is the acceptable difference in coupling constants between the anisotropic and is...
Posted: shub 31 / Updated: Bharathwaj 112 Jun 22 '10 at 07:16

How to set up Gaussian pulse to satisfy desired bandwidth?

1 1 9k
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...
Updated: Evgeny Fadeev 5771 Apr 02 '10 at 13:15

What is the definition of term Saturation and what are ways to achieve that state?

2 1 12005
answers votes views
Hello. What is the best definition to the state of "saturation" in the context of NMR? No phase coherence in the transv...
Posted: Evgeny Fadeev 5771 / Updated: Joseph DiVerdi 146 Apr 06 '10 at 20:44

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

1 1 3k
answers votes views
This cis-cyclohexyl derivative with two big substitutes (A and B) may has two conformational isomers, 1 and 2. How to ...
Posted: Jack 31 / Updated: Evgeny Fadeev 5771 Apr 05 '10 at 12:36

Why are my acetic acid-d4 solvent peaks off from the expected ppm value?

1 1 5k
answers votes views
Hello there. After running an 1H-NMR experiment I observed the acetic acid-d4 solvent peaks at 11.54 and 21.16 ppm (off...
Posted: BONA 11 / Updated: Evgeny Fadeev 5771 Apr 12 '10 at 15:08

Limit Testing by NMR?

3 1 8k
answers votes views
Is it possible to use NMR for limit testing of trace impurities in pharmaceutical drug substances? What are the conside...
Posted: Chris Kirchner 11 / Updated: sekhar Talluri 621 May 23 '10 at 11:49

How to determine E vz Z olefin isomer when proton resonances orverlap?

3 1 14516
answers votes views
We have an olefin, R1-CH=CH-R2 where proton resonances overlap. Is there a way to determine olefin isomer - E (trans) vs...
Posted: Evgeny Fadeev 5771 / Updated: Cleber Barreto 73 Jul 10 '10 at 08:07

Why chiral(-*C-)centre attached Ethylene(-CH2-)group splits into two separate protons(or)peaks ?

1 1 3k
answers votes views
About chiral centre ...
Posted: RAM 21 / Updated: Evgeny Fadeev 5771 May 01 '10 at 17:48
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