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FESTA: A Polygon-Based Approach for Extracting Relevant Structures from Free Energy Surfaces Obtained in Molecular Simulations
Journal of Chemical Information and Modeling
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Conformational Selection of α-Synuclein Tetramers at Biological Interfaces
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Molecular Informatics
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The journey to building a diverse, equitable, and inclusive American Medical Informatics Association
Journal of the American Medical Informatics Association
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Towards an Open and Integrated Cyberinfrastructure for River Morphology Research in the Big Data Era
Environmental Modelling & Software
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Introducing KICK-MEP: exploring potential energy surfaces in systems with significant non-covalent interactions
Journal of Molecular Modeling
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Comparative Assessment of Water Models in Protein–Glycan Interaction: Insights from Alchemical Free Energy Calculations and Molecular Dynamics Simulat
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