40 citations · 98 across the 6 of their papers we have counts for
4 papers · 1 filter
Characterizing the folding core of the cyclophilin A - cyclosporin A complex II: improving folding core predictions by including mobility
J. W. Heal, S. A. Wells, R. B. Freedman +1
Determining the folding core of a protein yields information about its folding process and dynamics. The experimental procedures for identifying the amino acids which make up the f…
Characterizing the folding core of the cyclophilin A - cyclosporin A complex I: hydrogen exchange data and rigidity analysis
J. W. Heal, R. A. Römer, C. A. Blindauer +1
The determination of a 'folding core' can help to provide insight into the structure, flexibility, mobility and dynamics, and hence, ultimately, function of a protein - a central c…
The dynamics and flexibility of protein disulphide-isomerase (PDI): predictions of experimentally-observed domain motions
J Emilio Jimenez-Roldan, Moitrayee Bhattacharyya, Stephen A Wells +3
We have studied the mobility of the folding catalyst, protein disulphide-isomerase (PDI), by molecular dynamics and by a rapid approach based on flexibility. We analysed our simula…
Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation
Nikolas S. Burkoff, Csilla Varnai, Stephen A. Wells +1
Nested sampling is a Bayesian sampling technique developed to explore probability distributions lo- calised in an exponentially small area of the parameter space. The algorithm pro…