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Re: WSN: residence time in the hydration shell (fwd)

Sender: raman@bioc01.uthscsa.edu (C.S.RAMAN)
Subject: Re: WSN: residence time in the hydration shell

Grazia:

> 
> I'm interested in the residence time of water molecules around hydrophilic 
> or hydrophobic solutes.  I am searching for references on experimental 
> and theoretical studies, and especially those with computer simulation of 
> this feature of aqueous solutions. 

You might find the following references helpful:

There is an article in 27 March 1995 issue of SCIENCE, p.1813 from
Angela Gronenborn and Marius Clore's group entitled "Demonstration of
positionally disordered water within a protein hydrophobic cavity by
NMR".

Geoff Otting and Kurt W"uthrich have contributed significantly to the
field of determining the residence time of waters in macromolecules.
Here are some of the references:


OTTING G; LIEPINSH E; WUTHRICH K.
      PROTON EXCHANGE WITH INTERNAL WATER MOLECULES IN THE PROTEIN BPTI IN
    AQUEOUS SOLUTION.
      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991 MAY 22, V113
    N11:4363-4364.


OTTING G; LIEPINSH E; WUTHRICH K.
      PROTEIN HYDRATION IN AQUEOUS SOLUTION.
      SCIENCE, 1991 NOV 15, V254 N5034:974-980.


WUTHRICH K; OTTING G.
      STUDIES OF PROTEIN HYDRATION IN AQUEOUS SOLUTION BY HIGH-RESOLUTION
    NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY.
      INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992 JUN 5, V42 N5:1553-1561.


OTTING G; LIEPINSH E; WUTHRICH K.
      POLYPEPTIDE HYDRATION IN MIXED SOLVENTS AT LOW TEMPERATURES.
      JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992 AUG 26, V114
    N18:7093-7095.


WUTHRICH K; OTTING G; LIEPINSH E.
      PROTEIN HYDRATION IN AQUEOUS SOLUTION.
      FARADAY DISCUSSIONS OF THE CHEMICAL SOCIETY, 1992,  N93:35-45.


BRUNNE RM; LIEPINSH E; OTTING G; WUTHRICH K; and others.
     HYDRATION OF PROTEINS - A COMPARISON OF EXPERIMENTAL RESIDENCE TIMES OF
   WATER MOLECULES SOLVATING THE BOVINE PANCREATIC TRYPSIN INHIBITOR WITH
   THEORETICAL MODEL CALCULATIONS.
     JOURNAL OF MOLECULAR BIOLOGY, 1993 JUN 20, V231 N4:1040-1048.

Cheers
-raman
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