ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories.

ProProtein: A platform for fully automated identification of 3D structure fluctuations in MD simulation trajectories.

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The main goal of Molecular Dynamics (MD) is a simulation of a physical system motions in a fixed time period. This technique allows users to observe the dynamic evolution of the system but requires advanced force fields and is computationally intensive. Furthermore, finding desirable features in the...

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Main Authors: Krzysztof Mularski, Dawid Makalowski, Marcin Okonek, Daria Glebowska, Mateusz Swiercz, Karol Kamel, Jacek Blazewicz, Maciej Antczak, Aleksandra Swiercz
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2025-01-01
Series:PLoS ONE
Online Access:https://doi.org/10.1371/journal.pone.0329314
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