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Jo, Sunhwan
One or more keywords matched the following items that are connected to Jo, Sunhwan
Item TypeName
Concept Computer Simulation
Concept Molecular Dynamics Simulation
Academic Article Papaverine, a vasodilator, blocks the pore of the HERG channel at submicromolar concentration.
Academic Article CHARMM-GUI Membrane Builder toward realistic biological membrane simulations.
Academic Article CHARMM-GUI micelle builder for pure/mixed micelle and protein/micelle complex systems.
Academic Article Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
Academic Article Cholesterol flip-flop: insights from free energy simulation studies.
Academic Article Molecular dynamics simulations of the Cx26 hemichannel: insights into voltage-dependent loop-gating.
Academic Article Lipopolysaccharide membrane building and simulation.
Academic Article CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.
Academic Article Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase.
Academic Article Application of binding free energy calculations to prediction of binding modes and affinities of MDM2 and MDMX inhibitors.
Academic Article NMR-based simulation studies of Pf1 coat protein in explicit membranes.
Academic Article Molecular dynamics and NMR spectroscopy studies of E. coli lipopolysaccharide structure and dynamics.
Academic Article Molecular dynamics simulations of glycoproteins using CHARMM.
Academic Article Solid-State NMR-Restrained Ensemble Dynamics of a Membrane Protein in Explicit Membranes.
Academic Article Automated builder and database of protein/membrane complexes for molecular dynamics simulations.
Academic Article Transmembrane helix orientation and dynamics: insights from ensemble dynamics with solid-state NMR observables.
Academic Article Solid-state NMR ensemble dynamics as a mediator between experiment and simulation.
Academic Article Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins.
Academic Article CHARMM-GUI PACE CG Builder for solution, micelle, and bilayer coarse-grained simulations.
Academic Article ST-analyzer: a web-based user interface for simulation trajectory analysis.
Academic Article An ensemble dynamics approach to decipher solid-state NMR observables of membrane proteins.
Academic Article A novel hypothesis for the binding mode of HERG channel blockers.
Academic Article CHARMM-GUI Ligand Binder for absolute binding free energy calculations and its application.
Academic Article CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes.
Academic Article Preferred conformations of N-glycan core pentasaccharide in solution and in glycoproteins.
Academic Article CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field.
Academic Article Leveraging the Information from Markov State Models To Improve the Convergence of Umbrella Sampling Simulations.
Academic Article CHARMM-GUI 10 years for biomolecular modeling and simulation.
Academic Article Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis.
Academic Article Correction to Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
Academic Article Multiple Conformational States Contribute to the 3D Structure of a Glucan Decasaccharide: A Combined SAXS and MD Simulation Study.
Academic Article Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
Academic Article Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water.
Academic Article CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans.
Academic Article Exploring protein-protein interactions using the site-identification by ligand competitive saturation methodology.
Academic Article CHARMM-GUI Glycan Modeler for modeling and simulation of carbohydrates and glycoconjugates.
Academic Article String Method for Protein-Protein Binding Free-Energy Calculations.
Academic Article Computational Characterization of Antibody-Excipient Interactions for Rational Excipient Selection Using the Site Identification by Ligand Competitive Saturation-Biologics Approach.
Academic Article Toward Biotherapeutics Formulation Composition Engineering using Site-Identification by Ligand Competitive Saturation (SILCS).
Academic Article CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems.
Academic Article CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.
Concept Molecular Docking Simulation
Academic Article GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations.
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