[gmx-users] beta hairpin; folding times; discrepancy between experiment and simulations

Y U Sasidhar sasidhar at chem.iitb.ac.in
Thu Jun 16 06:54:24 CEST 2005

 From published papers and our own experience
beta hairpins fold from unfolded states, like extended 
conformations, on nanosecond time scale.
However experimentally they are known to fold
on microsecond time scale. What is the source of this
discrepancy ? Force field inadequacy ?
Thanks in advance for your time. The answer is
important to us.

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