A5019018593- Protein Structure and Dynamics
- Bacteriophages and microbial interactions
- Mosquito-borne diseases and control
- Enzyme Structure and Function
- Machine Learning in Bioinformatics
- Research Data Management Practices
- Quantum Computing Algorithms and Architecture
- Scientific Computing and Data Management
- RNA Research and Splicing
- Heat shock proteins research
- thermodynamics and calorimetric analyses
- Vector-Borne Animal Diseases
- Virology and Viral Diseases
- Molecular Communication and Nanonetworks
- Membrane Separation and Gas Transport
- Genetics, Bioinformatics, and Biomedical Research
- Advanced Data Storage Technologies
- Chemical Synthesis and Analysis
- Computability, Logic, AI Algorithms
- Photosynthetic Processes and Mechanisms
- Insect Resistance and Genetics
- Genomics and Phylogenetic Studies
- Insect symbiosis and bacterial influences
- Advanced Polymer Synthesis and Characterization
- Surfactants and Colloidal Systems
Cleveland Clinic Lerner College of Medicine
2024
Galaxy Biotech (United States)
2023
University of New Orleans
2018-2022
Cleveland Clinic
2022
Galaxy is a mature, browser accessible workbench for scientific computing. It enables scientists to share, analyze and visualize their own data, with minimal technical impediments. A thriving global community continues use, maintain contribute the project, support from multiple national infrastructure providers that enable freely analysis training services. The Training Network supports free, self-directed, virtual >230 integrated tutorials. Project engagement metrics have continued grow...
Abstract Galaxy (https://galaxyproject.org) is deployed globally, predominantly through free-to-use services, supporting user-driven research that broadens in scope each year. Users are attracted to public services by platform stability, tool and reference dataset diversity, training, support integration, which enables complex, reproducible, shareable data analysis. Applying the principles of user experience design (UXD), has driven improvements accessibility, discoverability...
Thermoresponsive polymers can change structure or solubility as a function of temperature. Block co-polymers polyethers have response that depends on polymer molecular weight and co-polymer composition. A coarse-grained model for aqueous is developed applied to polyethylene oxide oxide-polypropylene oxide-polyethylene triblock co-polymers. In this model, no interaction sites hydrogen atoms are included, Coulombic interactions present, all short-ranged, treated with combination two-...
Abstract Viral helicases are promising targets for the development of antiviral therapies. Given their vital function unwinding double-stranded nucleic acids, inhibiting them blocks viral replication cycle. Previous studies have elucidated key structural details these helicases, including location substrate binding sites, flexible domains, and discovery potential inhibitors. Here we present a series new Galaxy tools workflows performing analyzing molecular dynamics simulations helicases. We...
Abstract Polypeptoids differ from polypeptides in that the amide bond can more frequently adopt both cis and trans conformations. The transition between two conformations requires overcoming a large energy barrier, making it difficult for conventional molecular simulations to adequately visit structures. A replica‐exchange method is presented allows easy rotations of also an efficient linking high temperature replica. just three replicas (one at Hamiltonian interest, second replica with...
Despite the recent advancements by deep learning methods such as AlphaFold2, \textit{in silico} protein structure prediction remains a challenging problem in biomedical research. With rapid evolution of quantum computing, it is natural to ask whether computers can offer some meaningful benefits for approaching this problem. Yet, identifying specific instances amenable advantage, and estimating resources required are equally tasks. Here, we share our perspective on how create framework...