176 citations · 1.9k across the 82 of their papers we have counts for
4 papers · 1 filter
Touching proteins with virtual bare hands: how to visualize protein-drug complexes and their dynamics in virtual reality
Erick Martins Ratamero, Dom Bellini, Christopher G. Dowson +1
The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifica…
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…
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.…