4 papers
RNA sampling and crystallographic refinement using Rappertk
Swanand Gore, Tom Blundell
Background. Dramatic increases in RNA structural data have made it possible to recognize its conformational preferences much better than a decade ago. This has created an opportuni…
Crystallographic modelling of protein loops and their heterogeneity with Rappertk
Swanand Gore, Tom Blundell
Background. All-atom crystallographic refinement of proteins is a laborious manually driven procedure, as a result of which, alternative and multiconformer interpretations are not…
Identification of specificity determining residues in enzymes using environment specific substitution tables
Swanand Gore, Tom Blundell
Environment specific substitution tables have been used effectively for distinguishing structural and functional constraints on proteins and thereby identify their active sites (Ch…
Comparative analysis of protein structure using multiscale additive functionals
Marconi Soares Barbosa, Rinaldo Wander Montalvao, Tom Blundell +1
This work reports a new methodology aimed at describing characteristics of protein structural shapes, and suggests a framework in which to resolve or classify automatically such st…