Ilkay Altintas, Ph.D.

San Diego County, California, United States Contact Info
9K followers 500+ connections

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About

Dr. Ilkay Altintas is the Chief Data Science Officer at the San Diego Supercomputer…

Activity

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Experience & Education

  • San Diego Supercomputer Center

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Volunteer Experience

  • Chairwoman of Board

    ATASC San Diego Turkish American School

    - 3 years 2 months

    Education

Publications

  • Progress towards automated Kepler scientific workflows for computer-aided drug discovery and molecular simulations

    Procedia Computer Science (29:1745-55)

    We describe the development of automated workflows that support computed-aided drug discovery (CADD) and molecular dynamics (MD) simulations and are included as part of the National Biomedical Computation Resource (NBCR). The main workflow components include: file-management tasks, ligand force field parameterization, receptor-ligand molecular dynamics (MD) simulations, job submission, serial and parallel execution, and monitoring on relevant high-performance computing (HPC) resources, receptor…

    We describe the development of automated workflows that support computed-aided drug discovery (CADD) and molecular dynamics (MD) simulations and are included as part of the National Biomedical Computation Resource (NBCR). The main workflow components include: file-management tasks, ligand force field parameterization, receptor-ligand molecular dynamics (MD) simulations, job submission, serial and parallel execution, and monitoring on relevant high-performance computing (HPC) resources, receptor structural clustering, virtual screening (VS), and statistical analyses of the VS results. The workflows aim to standardize simulation and analysis and promote best practices within the molecular simulation and CADD communities. Each component is developed as a stand-alone workflow, which should allow for easy integration into larger frameworks built suiting user needs, while remaining intuitive and easy to extend.

    Other authors
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Projects

Honors & Awards

  • Peter Chen Big Data Young Researcher Award

    Services Society

  • IEEE TCSC Award for Excellence for Early Career Researchers

    IEEE

  • HPCwire Reader’s Choice Award “Best Application of Big Data in HPC”

    HPCwire

  • SDSC Pi Person of the Year (Inaugural Recipient)

    San Diego Supercomputer Center

Languages

  • English

    Full professional proficiency

  • Turkish

    Native or bilingual proficiency

  • Dutch

    Elementary proficiency

  • French

    Elementary proficiency

  • German

    Elementary proficiency

Organizations

  • IEEE

    ACM

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