Wonpil Im
Orcid: 0000-0001-5642-6041
According to our database1,
Wonpil Im
authored at least 52 papers
between 2003 and 2024.
Collaborative distances:
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Bibliography
2024
J. Comput. Chem., April, 2024
2023
Structural Modeling of Cytokine-Receptor-JAK2 Signaling Complexes Using AlphaFold Multimer.
J. Chem. Inf. Model., September, 2023
CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes.
J. Chem. Inf. Model., August, 2023
Modeling and Simulation of Bacterial Outer Membranes with Lipopolysaccharides and Capsular Polysaccharides.
J. Chem. Inf. Model., March, 2023
Binding of human ACE2 and RBD of Omicron enhanced by unique interaction patterns among SARS-CoV-2 variants of concern.
J. Comput. Chem., February, 2023
2022
Practical Guidance for Consensus Scoring and Force Field Selection in Protein-Ligand Binding Free Energy Simulations.
J. Chem. Inf. Model., 2022
Comparative Molecular Dynamics Simulation Studies of Realistic Eukaryotic, Prokaryotic, and Archaeal Membranes.
J. Chem. Inf. Model., 2022
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field.
J. Comput. Chem., 2022
2021
CHARMM-GUI Free Energy Calculator for Practical Ligand Binding Free Energy Simulations with AMBER.
J. Chem. Inf. Model., 2021
CHARMM-GUI Membrane Builder for Lipid Nanoparticles with Ionizable Cationic Lipids and PEGylated Lipids.
J. Chem. Inf. Model., 2021
J. Chem. Inf. Model., 2021
Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures.
J. Chem. Inf. Model., 2021
CHARMM-GUI Ligand Designer for Template-Based Virtual Ligand Design in a Binding Site.
J. Chem. Inf. Model., 2021
CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides.
J. Chem. Inf. Model., 2021
2020
Improving Protein-Ligand Docking Results with High-Throughput Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2020
CHARMM-GUI DEER facilitator for spin-pair distance distribution calculations and preparation of restrained-ensemble molecular dynamics simulations.
J. Comput. Chem., 2020
J. Comput. Chem., 2020
2019
J. Comput. Chem., 2019
U-shaped caveolin-1 conformations are tightly regulated by hydrogen bonds with lipids.
J. Comput. Chem., 2019
J. Comput. Chem., 2019
2017
CHARMM-GUI ligand reader and modeler for CHARMM force field generation of small molecules.
J. Comput. Chem., 2017
CHARMM-GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides.
J. Comput. Chem., 2017
Simulating Biomolecules: Festschrift to commemorate the 60th birthday of Charles L. Brooks III.
J. Comput. Chem., 2017
Glycan Reader is improved to recognize most sugar types and chemical modifications in the Protein Data Bank.
Bioinform., 2017
2015
2014
CHARMM-GUI PACE CG Builder for Solution, Micelle, and Bilayer Coarse-Grained Simulations.
J. Chem. Inf. Model., 2014
J. Comput. Chem., 2014
Multidimensional umbrella sampling and replica-exchange molecular dynamics simulations for structure prediction of transmembrane helix dimers.
J. Comput. Chem., 2014
J. Comput. Chem., 2014
2013
Restricted N-glycan Conformational Space in the PDB and Its Implication in Glycan Structure Modeling.
PLoS Comput. Biol., 2013
Nucleic Acids Res., 2013
Ligand Binding Site Detection by Local Structure Alignment and Its Performance Complementarity.
J. Chem. Inf. Model., 2013
CHARMM-GUI Ligand Binder for Absolute Binding Free Energy Calculations and Its Application.
J. Chem. Inf. Model., 2013
CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems.
J. Chem. Inf. Model., 2013
2012
Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors.
J. Chem. Inf. Model., 2012
Identification of Ligand Templates using Local Structure Alignment for Structure-Based Drug Design.
J. Chem. Inf. Model., 2012
Web interface for brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
J. Comput. Chem., 2012
2011
Glycan reader: Automated sugar identification and simulation preparation for carbohydrates and glycoproteins.
J. Comput. Chem., 2011
2010
Protegrin-1 orientation and physicochemical properties in membrane bilayers studied by potential of mean force calculations.
J. Comput. Chem., 2010
2009
Beta-hairpin restraint potentials for calculations of potentials of mean force as a function of beta-hairpin tilt, rotation, and distance.
J. Comput. Chem., 2009
Novel free energy calculations to explore mechanisms and energetics of membrane protein structure and function.
J. Comput. Chem., 2009
2008
Nucleic Acids Res., 2008
A novel strategy to determine protein structures using exclusively residual dipolar coupling.
J. Comput. Chem., 2008
2007
Explicit treatment of force contribution from alignment tensor using overdetermined linear equations and its application in NMR structure determination.
J. Comput. Chem., 2007
Implementation and application of helix-helix distance and crossing angle restraint potentials.
J. Comput. Chem., 2007
2005
Application of torsion angle molecular dynamics for efficient sampling of protein conformations.
J. Comput. Chem., 2005
2004
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
J. Comput. Chem., 2004
2003