The main protease (Mpro) in severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the virus responsible for the coronavirus disease (COVID-19), has emerged as a promising drug target. The scientific community has produced a large number of crystallographic structures of the protease, which mediates viral replication and transcription. These structures report several fragments with varied chemotypes binding to different sites in Mpro. The main challenge at this stage is to effectively corroborate these valuable structural insights and expedite the search for any known drugs or natural products with properties similar to those fragments such that they can be rapidly translated for clinical testing against SARS-CoV-2. In this project, we build an artificial intelligence-based model using the available structural data of fragment-bound SARS-CoV-2 Mprocomplexes.Leveraging known drug-target interactions, our goal is to produce a machine learning algorithm capable of predicting potential drugs that can be repurposed for the treatment of COVID-19. We explore the potentials of small molecules, including drugs, natural products, and quantum dots to identify promising structures for inhibiting and/or detecting the SARS-CoV2 virus. Our results are expected to provide useful insights into the readily available therapeutic resources and help in the fight against the COVID-19 pandemic.
Magnetoelectric Coupling in New Composite Multiferroic Nanostructures as High-Density Quantum Multistate Memory Elements
Summary Magnetoelectric multiferroics are materials that exhibit correlated ferroelectric and ferromagnetic properties (i.e., a magnetoelectric effect). The resulting ability of these materials to simultaneously store data in electric polarization and magnetic moment could increase data storage density and data processing speed while reducing energy consumption. This project aims to design and fabricate new composite multiferroic […]
February 1, 2023
Entangled States of Beams and their Applications
Summary With David Cory and collaborators at the National Institute of Standards and Technology (NIST) we explore how to engineer beams of neutron or photons that carry entanglement. The degrees of freedom that can be entangled include spin (polarization), momentum, displacement, and angular momentum. These have potential applications ranging from studies of helical internal magnetic fields […]
September 7, 2016
Development of Terahertz Polariton Lasers
Theoretical and experimental results show that the polariton lasing mechanism is a promising basis for a compact, efficient source of terahertz radiation.
July 1, 2017
Combined momentum- and real-space photoelectric probes of dimensionality-tuned Weyl semimetals
Summary The library of two-dimensional (2D) materials has recently grown to include topological insulators and semimetals. Their incorporation in special device geometries may lead to novel quantum electronics with enhanced functionalities. Weyl semimetals, in particular, offer the most robust form of topological protection. Recent results from our group indicate that Weyl nodes should be […]
March 12, 2019