Subject: Re: CCL:Hydrogen bonds

From: Anton Feenstra <feenstra[at]chem.vu.nl>
Date: Thu, 04 Dec 2003 18:52:09 +0100

FyD wrote:

> Dear All, 
>  
> I am looking for references describing intra or inter-molecular Hydrogen bonds (life time for 
> example) observed in small organic molecules, peptides or nucleic acids during ... some 
> experiments (for instance during molecular dynamics simulations). 

In J. Biomol. NMR 23, 181-194, 2002 (Table 2) I report hydrogen bond lifetimes
in a *nonapeptide* during MD simulations of 200-700 ns (!).

In J. Comput. Chem. 20 (8), pp 786-798, 1999 (Table II) I report intra-molecular
h-bond lifetimes in *liquid* *water*, also from MD simulations.

In J. Phys. Chem. B 106, 8858-8869, 2002 (Figure 3, and description in text) we
describe hydrogen bonding *networks* in *FAD* (flavin-adenine-dinucleotide),
although no lifetimes were determined.

Hope this helps you along a bit...

-- 
Groetjes,

Anton
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|  _   _  ___,| K. Anton Feenstra                                     |
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