Abstract:Flexibility is essential for many proteins to function,
but can
be difficult to characterize. Experiments lack resolution in space
and time, while the time scales involved are prohibitively long for
straightforward molecular dynamics simulations. In this work, we present
a multiple state transition path sampling simulation study of a protein
that has been notoriously difficult to characterize in its active
state. The GTPase enzyme KRas is a signal transduction protein in
pathways for cell differentiation, grow… Show more
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