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Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide., , , , , and . J. Chem. Inf. Model., 60 (2): 843-853 (2020)Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer., , , , and . J. Chem. Inf. Model., 51 (7): 1623-1633 (2011)Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field., , , , and . J. Chem. Inf. Model., 63 (2): 595-604 (January 2023)Evolutionary and Functional Relationships in the Truncated Hemoglobin Family., , , , , and . PLoS Comput. Biol., (2016)pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pKas: The Case of Nitrophorin 4., , , and . PLoS Comput. Biol., (2012)Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations., , , , and . J. Chem. Inf. Model., 59 (1): 441-452 (2019)A quantitative model for oxygen uptake and release in a family of hemeproteins., , , , , and . Bioinform., 32 (12): 1805-1813 (2016)Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins., , , and . J. Comput. Chem., 32 (10): 2219-2231 (2011)An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network., , , , , and . J. Chem. Inf. Model., 51 (8): 1918-1930 (2011)