From gerard&$at$&scripps.edu  Tue Apr 19 14:39:35 1994
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Date: Tue, 19 Apr 94 10:57:31 -0700
From: gerard /at\scripps.edu (Gerard Jensen)
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To: chemistry %-% at %-% ccl.net
Subject: Helix Dipole



Dear Net-people,

In response to:

********************************************************************
Dear Networkers

Is there any way to calculate the dipole on a helix
in a protein.  Several papers I have read recently talk
about the importance of the helix-dipole but none quantify
this value.


THANKS


Margaret Wong
********************************************************************


In response to the above, fewer and fewer people I think believe in 
the so-called macrodipole anymore.  A nice alternative was presented 
by Aqvist and Warshel cited below.

 AQVIST J; LUECKE H; QUIOCHO FA; WARSHEL A.
      DIPOLES LOCALIZED AT HELIX TERMINI OF PROTEINS STABILIZE CHARGES.
      PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF
    AMERICA, 1991 MAR, V88 N5:2026-2030.


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  stereo pair       stereo pair           Gerard M. Jensen, Ph.D. 
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