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  • 2023

    Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering

    Marru, S., Pierce, M., Plale, B., Pamidighantam, S., Wannipurage, D., Christie, M., Ranawaka, I., Abeysinghe, E., Quick, R., Tajkhorshid, E., Koric, S., Basney, J., Spivak, M., Isralewitz, B., Bernardi, R., Gomes, D., Krishnan, G., Bazhenov, M., Smallen, S. & Majumdar, A. & 4 others, Arkhipov, A., Dai, K., Liu, X. P. & Yoshimoto, K., Jul 23 2023, PEARC 2023 - Computing for the common good: Practice and Experience in Advanced Research Computing. Association for Computing Machinery, p. 26-34 9 p. (PEARC 2023 - Computing for the common good: Practice and Experience in Advanced Research Computing).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Open Access
  • 2022

    Experiences Porting NAMD to the Data Parallel C++ Programming Model

    Hardy, D. J., Choi, J., Jiang, W. & Tajkhorshid, E., May 10 2022, Proceedings of International Workshop on OpenCL, IWOCL 2022. Lin, W.-C. (ed.). Association for Computing Machinery, 15. (ACM International Conference Proceeding Series).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Open Access
  • 2021

    Lessons Learned from Responsive Molecular Dynamics Studies of the COVID-19 Virus

    Hardy, D. J., Stone, J. E., Isralewitz, B. & Tajkhorshid, E., 2021, Proceedings of UrgentHPC 2021: 3rd International Workshop on HPC for Urgent Decision Making, Held in conjunction with SC 2021: The International Conference for High Performance Computing, Networking, Storage and Analysis. Institute of Electrical and Electronics Engineers Inc., p. 1-10 10 p. (Proceedings of UrgentHPC 2021: 3rd International Workshop on HPC for Urgent Decision Making, Held in conjunction with SC 2021: The International Conference for High Performance Computing, Networking, Storage and Analysis).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution

    Open Access
  • 2006

    Laser photo CIDNP technique as a versatile tool for structural analysis of inter- and intramolecular protein-carbohydrate interactions

    Siebert, H. C., Tajkhorshid, E., Vliegenthart, J. F. G., Von Der Lieth, C. W., André, S. & Gabius, H. J., 2006, NMR Spectroscopy and Computer Modeling of Carbohydrates: Recent Advances. Vliegenthart, J. & Woods, R. (eds.). p. 81-113 33 p. (ACS Symposium Series; vol. 930).

    Research output: Chapter in Book/Report/Conference proceedingConference contribution