Analysis of the position dependent amino acid probabilities and its application to the search for remote homologues

Motivation: Fold recognition is a key step in the protein structure discovery process, especially when traditional sequence comparison methods fail to yield convincing structural homologies. Although many methods have been developed for protein fold ...

Over the last couple of years, it has been shown that Time Dependent Density Functional Theory (TD-DFT) is able to predict accurately and efficiently the polarizability of molecules, when using appropriate exchange-correlation potentials and (large) ...

The analysis on structural characteristic of proteins is helpful to understand molecular mechanisms of disordered structure formation and principles of protein folding, and can provide a foundation for predicting model of intrinsically disordered ...