TY - GEN AB - When 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. AU - Russo, John D. DA - 2023 DO - 10.6083/jd472x26t DO - DOI ID - 10142 KW - Algorithms KW - Molecular Dynamics Simulation L1 - https://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf L2 - https://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf L4 - https://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf LK - https://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf N2 - When 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. PB - Oregon Health and Science University PY - 2023 T1 - Doing more with less: improved simulation and analysis of biomolecular systems TI - Doing more with less: improved simulation and analysis of biomolecular systems UR - https://digitalcollections.ohsu.edu/record/10142/files/Russo.John.2023.pdf Y1 - 2023 ER -