Paul Sarando

ORCID: 0000-0002-3767-3466
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About
Contact & Profiles
Research Areas
  • Scientific Computing and Data Management
  • Cloud Computing and Resource Management
  • Distributed and Parallel Computing Systems
  • Genetics, Bioinformatics, and Biomedical Research
  • Research Data Management Practices
  • Protein Structure and Dynamics
  • Advanced Proteomics Techniques and Applications
  • Mass Spectrometry Techniques and Applications
  • Microbial Metabolic Engineering and Bioproduction
  • Bioinformatics and Genomic Networks

University of Arizona
2016-2024

CyVerse, the largest publicly-funded open-source research cyberinfrastructure for life sciences, has played a crucial role in advancing data-driven since 2010s. As technology landscape evolved with emergence of cloud computing platforms, machine learning and artificial intelligence (AI) applications, CyVerse enabled access by providing interfaces, Software as Service (SaaS), cloud-native Infrastructure Code (IaC) to leverage new technologies. services enable researchers integrate...

10.1371/journal.pcbi.1011270 article EN cc-by PLoS Computational Biology 2024-02-07

<ns4:p>Docker has become a very popular container-based virtualization platform for software distribution that revolutionized the way in which scientific and dependencies (software stacks) can be packaged, distributed, deployed. Docker makes complex time-consuming installation procedures needed one-time process. Because it enables platform-independent installation, versioning of environments, easy redeployment reproducibility, is an ideal candidate deployment identical stacks on different...

10.12688/f1000research.8935.1 preprint EN cc-by F1000Research 2016-06-21

Background Molecular Dynamics (MD) simulation of biomolecules provides important insights into conformational changes and dynamic behavior, revealing critical information about folding interactions with other molecules. This enables advances in drug discovery the design therapeutic interventions. The collection simulations stored computers across world holds immense potential to serve as training data for future Machine Learning models that will transform prediction structure, dynamics,...

10.1101/2024.07.11.602903 preprint EN 2024-07-12

Abstract CyVerse, the largest publicly-funded open-source research cyberinfrastructure for life sciences, has played a crucial role in advancing data-driven since 2010s. As technology landscape evolved with emergence of cloud computing platforms, machine learning and artificial intelligence (AI) applications, CyVerse enabled access by providing interfaces, Software as Service (SaaS), cloud-native Infrastructure Code (IaC) to leverage new technologies. services enable researchers integrate...

10.1101/2023.06.16.545223 preprint EN cc-by bioRxiv (Cold Spring Harbor Laboratory) 2023-06-19

<ns4:p>Docker has become a very popular container-based virtualization platform for software distribution that revolutionized the way in which scientific and dependencies (software stacks) can be packaged, distributed, deployed. Docker makes complex time-consuming installation procedures needed one-time process. Because it enables platform-independent installation, versioning of environments, easy redeployment reproducibility, is an ideal candidate deployment identical stacks on different...

10.12688/f1000research.8935.3 preprint EN cc-by F1000Research 2016-12-05

Molecular Dynamics (MD) simulation of biomolecules provides important insights into conformational changes and dynamic behavior, revealing critical information about folding interactions with other molecules. The collection simulations stored in computers across the world holds immense potential to serve as training data for future Machine Learning models that will transform prediction structure, dynamics, drug interactions, more. Ideally, there should exist an open access repository enables...

10.1093/nar/gkae1109 article EN cc-by Nucleic Acids Research 2024-11-13

<ns4:p>Docker has become a very popular container-based virtualization platform for software distribution that revolutionized the way in which scientific and dependencies (software stacks) can be packaged, distributed, deployed. Docker makes complex time-consuming installation procedures needed one-time process. Because it enables platform-independent installation, versioning of environments, easy redeployment reproducibility, is an ideal candidate deployment identical stacks on different...

10.12688/f1000research.8935.2 preprint EN cc-by F1000Research 2016-11-22
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