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<DIV> Hi All,<BR> I am not an expert in mol.
dynamics, but I am interested to get the qualified response to some important
related questions, if possible.</DIV>
<DIV><BR> It follows from my Hierarchic theory of condensed
matter and its computerized application to water and ice, that such new
phenomena as mesoscopic molecular Bose condensation (mBC) is possible even at
the ambient temperatures [Kaivarainen, 2001: <A
href="http://arxiv.org/PS_cache/physics/pdf/0102/0102086.pdf">http://arxiv.org/PS_cache/physics/pdf/0102/0102086.pdf</A>
(see sections 5.2-5.4)].<BR> Unlike to macroscopic BC, like at
superfluidity and superconductivity, the mBC is presented by clusters of
coherent molecules, localized in the volume of 3D standing de Broglie waves,
related to librations in liquid phase and librations and translations in solid
phase. For example, the number of molecules in mBC of liquid water decreases
from 280 to 3 when the temperature increases from the melting point (273K) up to
boiling point (373K).</DIV>
<DIV><BR> Few years ago I supposed that the mBC of CH, OH
groups of aminoacids in proteins and in lipids of membranes may play certain
role in the domains and knots folding in proteins and membranes. The
verification of this idea needs calculation of most probable momentum or kinetic
energy of atoms and mentioned atomic groups. The knowledge of most probable
momentums of atoms, related to their librations and translations makes it
possible to calculate the corresponding most probable de Broglie wave length, as
a ratio of Plank constant to these momentums. It is anticipated that the
correlation between these wave length and dimensions of domains and knots should
exist.<BR> So my question follows: <STRONG>is it possible
theoretically (i.e. using mol. dynamics or other approaches) or experimentally
(X-ray or neutron scattering) evaluate the above most probable momentums or
kinetic energies of atoms and atomic groups in the interior of protein domains
?<BR></STRONG> It is clear in advance that in any condensed
matter, including proteins, the thermal oscillations are anharmonic and the
degree of anharmonicity should be taken into account.<BR> If
somebody will find the solution of this problem real and interesting, as a new
quantum factor of biopolymers folding (still missing in theory of biosystems
self-organization), please contact me.<BR>
Thanks.<BR> Alex Kaivarainen<BR> Dept of
Physics, University of Turku, Finland.<BR> <A
href="mailto:H2o@karelia.ru">H2o@karelia.ru</A><BR>
web.petrsu.ru/~alexk<BR> .</DIV>
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