We are building an interactive, visual text analysis tool that aids users in analyzing a large collection of text. Unlike existing work in text analysis, which focuses either on d...
Abstract. Over the last decade several prediction methods have been developed for determining structural and functional properties of individual protein residues using sequence and...
Huzefa Rangwala, Christopher Kauffman, George Kary...
: A novel procedure for docking ligands in a flexible binding site is presented. It relies on conjugate gradient minimization, during which nonbonded interactions are gradually swi...
Background: Existing biological databases support a variety of queries such as keyword or definition search. However, they do not provide any measure of relevance for the instance...
The understanding of H diffusion in materials is pivotal to designing suitable processes. Though a nudged elastic band (NEB)+molecular dynamics (MD)/quantum mechanics (QM) algori...