40 citations · 151 across the 4 of their papers we have counts for
3 papers · 1 filter
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…
Rapid simulation of protein motion: merging flexibility, rigidity and normal mode analyses
J. E. Jimenez-Roldan, R. B. Freedman, R. A. Römer +1
Protein function frequently involves conformational changes with large amplitude on timescales which are difficult and computationally expensive to access using molecular dynamics.…
Comparative analysis of rigidity across protein families
SA Wells, JE Jimenez-Roldan, RA Römer
Rigidity analysis using the "pebble game" has been applied to protein crystal structures to obtain information on protein folding, assembly and t he structure-function relationship…