RNA bulge entropies in the unbound state correlate with peptide binding strengths for HIV-1 and BIV TAR RNA because of improved conformational access

B Lustig, I Baharand, RL Jernigan - Nucleic acids research, 1998 - academic.oup.com
For the binding of peptides to wild-type HIV-1 and BIV TAR RNA and to mutants with bulges
of various sizes, changes in the ΔΔ G values of binding were determined from experimental
K d values. The corresponding entropies of these bulges are estimated by enumerating all
possible RNA bulge conformations on a lattice and then applying the Boltzmann
relationship. Independent calculations of entropies from fluctuations are also carried out
using the Gaussian network model (GNM) recently introduced for analyzing folded …
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