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posted Mar 08 '10 at 13:35

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How should molecule flexibility affect NOE distance restraint calibration?

How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it is likely that side-chains occupy many conformations.

However, the backbone is probably less mobile.

How do you calibrate NOE restraints based on the peak intensity in a situation like this?

Thank you.

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No.1 Revision

posted Mar 08 '10 at 13:35

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How should molecule flexibility affect NOE distance restraint calibration?

How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it is likely that side-chains occupy many conformations.

However, the backbone is probably less mobile.

How do you calibrate NOE restraints based on the peak intensity in a situation like this?

Thank you.

click to hide/show revision 3
No.2 Revision

posted Mar 13 '10 at 18:47

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How should molecule flexibility affect NOE distance restraint calibration?

How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it is likely that side-chains dynamically occupy many conformations.

However, the backbone is probably less mobile.

How do you calibrate NOE restraints based on the peak intensity in a situation like this?

Thank you.

click to hide/show revision 4
No.3 Revision

posted Mar 13 '10 at 18:48

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

How should molecule flexibility affect NOE distance restraint calibration?

How would you recommend to approach this problem - we have a peptide that has side-chain exposed to the solvent and it is likely that side-chains dynamically occupy many conformations.

However, the backbone is probably less mobile.

How do you calibrate NOE restraints based on the peak intensity in a situation like this?

edit: sorry I was not clear enough the first time - I mean that conformational exchange that is fast on NMR time scale.

Thank you.

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