Abstract: In molecular dynamics simulations, the integral methods used to calculate molecular trajectories, such as the Verlet integral method, involve significant computational costs. On the premise ...
Abstract: High-performance molecular property prediction is one of the essential problems in many research fields. Although Deep Learning models (DLMs) have the strong potential to predict molecular ...
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Model shows the role of intrinsically disordered proteins in biomolecular condensate viscoelasticity
Biomolecular condensates are membraneless organelles that organize biomolecules and aid in compartmentalizing cellular functions. Increasing evidence suggests that the material properties of these ...
Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably the atoms constituting the material are bonded. The core of molecular design ...
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