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Journal of Chemical Information and Modeling|April 2, 2020
Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics SimulationsHugo Guterres, Wonpil ImJournal of Chemical Information and Modeling|July 18, 2023
CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding ModesHugo Guterres, Wonpil ImJournal of Chemical Theory and Computation|September 27, 2019
Ligand-Binding-Site Structure Refinement Using Molecular Dynamics with Restraints Derived from Predicted Binding Site TemplatesHugo Guterres, Hui Sun Lee, Wonpil ImJournal of Chemical Information and Modeling|December 18, 2020
Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo StructuresHugo Guterres, Sang-Jun Park, Wei Jiang, et al.Journal of Chemical Information and Modeling|July 23, 2021
CHARMM-GUI LBS Finder & Refiner for Ligand Binding Site Prediction and RefinementHugo Guterres, Sang-Jun Park, Han Zhang, et al.Journal of Chemical Information and Modeling|November 10, 2021
CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding SiteHugo Guterres, Sang-Jun Park, Yiwei Cao, et al.Nature Structural & Molecular Biology|June 8, 2023
Molecular basis of polyspecific drug and xenobiotic recognition by OCT1 and OCT2Yang Suo, Nicholas J Wright, Hugo Guterres, et al.Biorxiv : the Preprint Server for Biology|March 30, 2023
Molecular basis of polyspecific drug binding and transport by OCT1 and OCT2Yang Suo, Nicholas J Wright, Hugo Guterres, et al.Biophysical Journal|June 22, 2011
Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observablesSunhwan Jo, Wonpil ImJournal of Chemical Theory and Computation|July 15, 2014
Theory of Adaptive Optimization for Umbrella SamplingSoohyung Park, Wonpil ImPageof 32