TY - JOUR
T1 - Combining experiment and simulation in protein folding
T2 - closing the gap for small model systems
AU - Schaeffer, R. Dustin
AU - Fersht, Alan
AU - Daggett, Valerie
PY - 2008/2
Y1 - 2008/2
N2 - All-atom molecular dynamics (MD) simulations on increasingly powerful computers have been combined with experiments to characterize protein folding in detail over wider time ranges. The folding of small ultrafast folding proteins is being simulated on μs timescales, leading to improved structural predictions and folding rates. To what extent is 'closing the gap' between simulation and experiment for such systems providing insights into general mechanisms of protein folding?
AB - All-atom molecular dynamics (MD) simulations on increasingly powerful computers have been combined with experiments to characterize protein folding in detail over wider time ranges. The folding of small ultrafast folding proteins is being simulated on μs timescales, leading to improved structural predictions and folding rates. To what extent is 'closing the gap' between simulation and experiment for such systems providing insights into general mechanisms of protein folding?
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U2 - 10.1016/j.sbi.2007.11.007
DO - 10.1016/j.sbi.2007.11.007
M3 - Review article
C2 - 18242977
AN - SCOPUS:39149104002
SN - 0959-440X
VL - 18
SP - 4
EP - 9
JO - Current Opinion in Structural Biology
JF - Current Opinion in Structural Biology
IS - 1
ER -