Paper on VASP-E in press at PLoS Computational Biology
Dr. Chen's new single author paper, "VASP-E: Specificity Annotation with a Volumetric Analysis of Electrostatic Isopotentials", is now in press at PLoS Computational Biology. This paper describes a new algorithm for the volumetric comparison of electrostatic fields in protein-ligand binding cavities and protein-protein interfaces. Dr. Chen demonstrated that this new kind of comparison could complement existing structure-based comparisons, and reveal amino acids that have an electrostatic influence on specificity.