Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study
Table 4
Conformational entropy differences associated with Rbfox* protein for residues belonging to the β2β3 loop.
ΔS values are calculated as SRbfoxF—SRbfox*F (ΔSa) and SRbfox*F—SRbfox*C (ΔSb), over simulations 1 (Rbfox free), 14 (Rbfox* free), and 17 (Rbfox* bound) as listed in Table 1. The subscripts F and C refer to the free and bound proteins, respectively. These values are obtained with very approximate methods, and they should be taken only for qualitative comparisons.