ArticlebioRxiv : the preprint server for biology2026
PySteMoDA: An Open-Source Python Package for the Analysis of Steered Molecular Dynamics Simulations Data.
Article in bioRxiv : the preprint server for biology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Molecular dynamics simulation is a powerful computational technique used for predicting and understanding the dynamic behavior of biomolecular systems. Steered molecular dynamics (SMD) simulations enable the study of force-induced processes in biomolecules, effectively mimicking single-molecule force spectroscopy experiments probing protein unfolding and receptor-ligand unbinding. Given the stochastic nature of these mechanical events, accurately exploring the dynamic behavior of biomolecules and extracting accurate physical information requires several
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