Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
Background: Atomic Solvation Parameters (ASP) model has been proven to be a very successful method of calculating the binding free energy of protein complexes. This suggests that ...
Lin Li, Dachuan Guo, Yangyu Huang, Shiyong Liu, Yi...
The reduced basis method was introduced for the accurate online evaluation of solutions to a parameter dependent family of elliptic partial differential equations. ly, it can be ...
Peter Binev, Albert Cohen, Wolfgang Dahmen, Ronald...
Background: The impressive increase of novel RNA structures, during the past few years, demands automated methods for structure comparison. While many algorithms handle only small...
Svetlana Kirillova, Silvio C. E. Tosatto, Oliviero...
Background: Protein structure comparison is a central issue in structural bioinformatics. The standard dissimilarity measure for protein structures is the root mean square deviati...