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Publications by Katherine Krause

Accelerated Molecular Dynamics for Structural Prediction in Protein/Peptide Binding: The SLICE Method

English

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Structural Basis for Peptide Binding in Protein Kinase A

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Accelerated Molecular Dynamics Simulations of Phosphate Binding Proteins

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Accelerated Molecular Dynamics Simulations of Protein Folding

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Peptide-Protein Binding Investigated by Far-Ir Spectroscopy and Molecular Dynamics Simulations

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Structural Analysis of Recombinant Human Preproinsulins by Structure Prediction, Molecular Dynamics, and Protein-Protein Docking

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Accelerated Transfer Learning for Protein-Protein Interaction Prediction

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Investigating Structural Transitions of GABA-A Receptors Using Accelerated Molecular Dynamics

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An Accelerated Method for Simulating Population Dynamics

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Accurate Prediction of Protein-Ligand Binding by Combined Molecular Dynamics-Based Docking and QM/MM Methods

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