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Sunhwan Jo

University of Kansas
Argonne National Laboratory

81

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CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.

2022 J. Comput. Chem.
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Rapid and Accurate Estimation of Protein-Ligand Relative Binding Affinities using Site-Identification by Ligand Competitive Saturation

2021 Chemical Science
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Estimating Protein-Ligand Relative Binding Affinities using the Site-Identification by Ligand Competitive Saturation Approach

2021 Biophysical Journal
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Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS).

2020 Journal of Pharmaceutical Sciences
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Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection using the Site Identification by Ligand Competitive Saturation (SILCS)-Biologics Approach.

2020 Molecular Pharmaceutics
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Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots)

2020 Biochimica et Biophysica Acta
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Optimization and Evaluation of the Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization

2019 Journal of Chemical Information and Modeling
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CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans

2019 Journal of Chemical Theory and Computation
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CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates

2019 Glycobiology
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Exploring protein‐protein interactions using the site‐identification by ligand competitive saturation methodology

2019 Proteins
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