The ability to retrieve molecules based on structural similarity has use in many applications, from disease diagnosis and treatment to drug discovery and design. In this paper, we...
Keith Marsolo, Srinivasan Parthasarathy, Kotagiri ...
Background: Protein sequence clustering has been widely used as a part of the analysis of protein structure and function. In most cases single linkage or graph-based clustering al...
Yonghui Chen, Kevin D. Reilly, Alan P. Sprague, Zh...
We present a novel method for predicting the secondary structure of a protein from its amino acid sequence. Most existing methods predict each position in turn based on a local wi...
Scott C. Schmidler, Jun S. Liu, Douglas L. Brutlag
We have developed an evolutionary approach for the flexible docking that is now an important component of a rational drug design. This automatic docking tool, referred to as the G...
Background: Protein secondary structure prediction provides insight into protein function and is a valuable preliminary step for predicting the 3D structure of a protein. Dynamic ...
Zafer Aydin, Ajit Singh, Jeff Bilmes, William Staf...