Folding of the villin headpiece subdomain from random structures. Analysis of the charge distribution as a function of pH

DR Ripoll, JA Vila, HA Scheraga - Journal of molecular biology, 2004 - Elsevier
The structure of the 36 residue villin headpiece subdomain is investigated with the
electrostatically driven Monte Carlo method. The ECEPP/3 (Empirical Conformational …

NMR characterization of a peptide model provides evidence for significant structure in the unfolded state of the villin headpiece helical subdomain

Y Tang, MJ Goger, DP Raleigh - Biochemistry, 2006 - ACS Publications
The villin headpiece subdomain (HP36) is the smallest naturally occurring protein that folds
cooperatively. The protein folds on a microsecond time scale. Its small size and very rapid …

The role of aromatic residues in the hydrophobic core of the villin headpiece subdomain

BS Frank, D Vardar, DA Buckley… - Protein Science, 2002 - Wiley Online Library
Small autonomously folding proteins are of interest as model systems to study protein
folding, as the same molecule can be used for both experimental and computational …

Probing the folding transition state structure of the villin headpiece subdomain via side chain and backbone mutagenesis

MR Bunagan, J Gao, JW Kelly… - Journal of the American …, 2009 - ACS Publications
Backbone− backbone hydrogen bonds are a common feature of native protein structures,
yet their thermodynamic and kinetic influence on folding has long been debated. This is …

Reconciling the solution and X-ray structures of the villin headpiece helical subdomain: molecular dynamics simulations and double mutant cycles reveal a stabilizing …

L Wickstrom, Y Bi, V Hornak, DP Raleigh… - Biochemistry, 2007 - ACS Publications
The 36-residue helical subdomain of the villin headpiece, HP36, is one of the smallest
cooperatively folded proteins, folding on the microsecond time scale. The domain is an …

Peptide models provide evidence for significant structure in the denatured state of a rapidly folding protein: the villin headpiece subdomain

Y Tang, DJ Rigotti, R Fairman, DP Raleigh - Biochemistry, 2004 - ACS Publications
The villin headpiece subdomain is a cooperatively folded 36-residue, three-α-helix protein.
The domain is one of the smallest naturally occurring sequences which has been shown to …

Use of MM‐PB/SA in estimating the free energies of proteins: application to native, intermediates, and unfolded villin headpiece

MR Lee, Y Duan, PA Kollman - Proteins: Structure, Function …, 2000 - Wiley Online Library
We investigated the stability of three different ensembles of the 36‐mer villin headpiece
subdomain, the native, a compact folding intermediate, and the random coil. Structures were …

Analysis of core packing in a cooperatively folded miniature protein: the ultrafast folding villin headpiece helical subdomain

S Xiao, Y Bi, B Shan, DP Raleigh - Biochemistry, 2009 - ACS Publications
The helical subdomain of the villin headpiece is the smallest naturally occurring
cooperatively folded protein. Its small size, simple three-helix topology, and very rapid …

Large-scale context in protein folding: villin headpiece

A Fernández, M Shen, A Colubri, TR Sosnick… - Biochemistry, 2003 - ACS Publications
The villin headpiece folds autonomously in vitro forming three α-helical regions. Local
propensities, however, strongly disfavor the formation of the C-terminal helix because most …

The unfolded state of the villin headpiece helical subdomain: computational studies of the role of locally stabilized structure

L Wickstrom, A Okur, K Song, V Hornak… - Journal of Molecular …, 2006 - Elsevier
The 36 residue villin headpiece helical subdomain (HP36) is one of the fastest cooperatively
folding proteins, folding on the microsecond timescale. HP36's simple three helix topology …