OF THE DISSERTATION Novel Structure Similarity-Based Methods for Identifying Drug-Like Compounds

The paper explores the impact of structured learning experiences that were designed to challenge students’ ways of thinking and promote creativity. The aim was to develop the ability of students, coming from different engineering disciplines and characterized by particular thinking style profiles, to collaboratively work on a project-based learning experience in an educational environment. Thre...

Malignant tumors that contain a high proportion of regions deprived of adequate oxygen supply (hypoxia) in areas supplied by a microvessel (i.e., a microcirculatory supply unit MCSU) have been shown to present resistance to common cancer treatments. Given the importance of the estimation of this proportion for improving the clinical prognosis of such treatments, a manual annotation has been pro...

This paper tests the hypothesis that social presence influences size perception by increasing context sensitivity. Consistent with Allport's prediction, we expected to find greater context sensitivity in participants who perform a visual task in the presence of other people (i.e., in co-action) than in participants who perform the task in isolation. Supporting this hypothesis, participants perf...

We calculate the leading order interactions of massless D-brane excitations. Their 4-point functions are found to be identical to those found in type I theory. The amplitude for two massless D-brane fluctuations to produce a massless closed string is found to possess interesting new structure. As a function of its single kinematic invariant, it displays an infinite sequence of alternating zeros...

We present an overview of current research in performance modeling, focusing on efforts underway in the Performance Evaluation Research Center (PERC). Using some new techniques, we are able to construct performance models that can be used to project the sustained performance of large-scale scientific programs on different systems, over a range of job and system sizes. Such models can be used by...

In this paper, we present a brief review of methods for protein structure comparison. We also present a novel idea for comparing homo-oligomeric protein complexes by using a simplified representation of the protein that takes advantage of the symmetry present in the protein. We compare this method to other similar protein comparison methods in computational experiments.