Category: Publications

Fast algorithm for quasi-2D Coulomb systems.

Posted by on 23 April 2025 in Publications, Materials Modeling and Scientific Computing

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Broken symmetries in quasi-2D charged systems via negative dielectric confinement

Posted by on 23 April 2025 in Publications, Materials Modeling and Scientific Computing

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Interplay of chemotactic force, Peclet number, and dimensionality dictates the dynamics of auto-chemotactic chiral active droplets

Posted by on 23 April 2025 in Publications, Materials Modeling and Scientific Computing

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Computing hydrodynamic interactions in confined doubly periodic geometries in linear time

Posted by on 23 April 2025 in Publications, Materials Modeling and Scientific Computing

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Harmonic surface mapping algorithm for electrostatic potentials in an atomistic/continuum hybrid model for electrolyte solutions

Posted by on 23 April 2025 in Publications, Materials Modeling and Scientific Computing

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Binding mechanism and distant regulation of histone deacetylase 8 by PCI-34051

Posted by on 23 April 2025 in Publications, Theoretical and Computational Biophysics

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Dynamics of the mammalian pyruvate dehydrogenase complex revealed by in-situ structural analysis

Posted by on 23 April 2025 in Publications, Theoretical and Computational Biophysics

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Dissecting the Roles of Electrostatic Interactions in Modulating the Folding Stability and Cooperativity of Engrailed Homeodomain

Posted by on 23 April 2025 in Publications, Theoretical and Computational Biophysics

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Fluctuating Chromatin Facilitates Enhancer–Promoter Communication by Regulating Transcriptional Clustering Dynamics

Posted by on 23 April 2025 in Publications, Theoretical and Computational Biophysics

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Unraveling the Interplay between Stability and Flexibility in the Design of Polyethylene Terephthalate (PET) Hydrolases

Posted by on 23 April 2025 in Publications, Theoretical and Computational Biophysics

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