000010142 001__ 10142 000010142 005__ 20231129124954.0 000010142 0247_ $$2DOI$$a10.6083/jd472x26t 000010142 037__ $$aETD 000010142 245__ $$aDoing more with less: improved simulation and analysis of biomolecular systems 000010142 260__ $$bOregon Health and Science University 000010142 269__ $$a2023 000010142 336__ $$aDissertation 000010142 502__ $$bPh.D. 000010142 520__ $$aWhen filming a movie, capturing the essence of a story goes beyond still shots of key scenes. Imagine trying to understand the plot of a movie by only looking at a single frame of the opening scene and another of the closing scene. To appreciate the story, you need the whole film reel, complete with scenes, dialogue, and the actions that bring the story to life. Molecular dynamics simulations are like "movies" of biomolecular systems, allowing scientists to watch complex dynamics with atomic-level detail. In this work, we address the unique challenges that creating and analyzing these movies presents. 000010142 542__ $$fIn copyright - single owner 000010142 650__ $$aAlgorithms$$014437 000010142 650__ $$aMolecular Dynamics Simulation$$038542 000010142 691__ $$aSchool of Medicine$$041369 000010142 692__ $$aDepartment of Biomedical Engineering$$041397 000010142 7001_ $$aRusso, John D. 000010142 8564_ $$991e0c852-78f0-4873-bbed-c06da9c539f9$$s19295021$$uhttps://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf 000010142 905__ $$a/rest/prod/jd/47/2x/26/jd472x26t 000010142 909CO $$ooai:digitalcollections.ohsu.edu:10142$$pstudent-work 000010142 980__ $$aTheses and Dissertations