StreaMD: the toolkit for high-throughput molecular dynamics simulations

Abstract Molecular dynamics simulations serve as a prevalent approach for investigating the dynamic behaviour of proteins and protein–ligand complexes. Due to its versatility and speed, GROMACS stands out as a commonly utilized software platform for executing molecular dynamics simulations. However,...

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Bibliographic Details
Main Authors: Aleksandra Ivanova, Olena Mokshyna, Pavel Polishchuk
Format: Article
Language:English
Published: BMC 2024-11-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-024-00918-w
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