IBBR Publications

Found 8 results
Filters: Author is Jo, Sunhwan  [Clear All Filters]
2018
Sun D, Lakkaraju SKaushik, Jo S, Mackerell AD. Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water. J Chem Theory Comput. 2018 .
2017
Jo S, Cheng X, Lee J, Kim S, Park S-J, Patel DS, Beaven AH, Lee KIl, Rui H, Park S, et al. CHARMM-GUI 10 years for biomolecular modeling and simulation. J Comput Chem. 2017 ;38(15):1114-1124.
2016
Lee J, Cheng X, Swails JM, Yeom MSun, Eastman PK, Lemkul JA, Wei S, Buckner J, Jeong JCheol, Qi Y, et al. CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field. J Chem Theory Comput. 2016 ;12(1):405-13.
2015
Jo S, Wu EL, Stuhlsatz D, Klauda JB, Mackerell AD, Widmalm G, Im W. Lipopolysaccharide membrane building and simulation. Methods Mol Biol. 2015 ;1273:391-406.
Mallajosyula SS, Jo S, Im W, Mackerell AD. Molecular dynamics simulations of glycoproteins using CHARMM. Methods Mol Biol. 2015 ;1273:407-29.
2014
Jo S, Cheng X, Islam SM, Huang L, Rui H, Zhu A, Lee HSun, Qi Y, Han W, Vanommeslaeghe K, et al. CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues. Adv Protein Chem Struct Biol. 2014 ;96:235-65.
Kern NR, Lee HSun, Wu EL, Park S, Vanommeslaeghe K, Mackerell AD, Klauda JB, Jo S, Im W. Lipid-linked oligosaccharides in membranes sample conformations that facilitate binding to oligosaccharyltransferase. Biophys J. 2014 ;107(8):1885-95.
2011
Jo S, Song KC, Desaire H, Mackerell AD, Im W. Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins. J Comput Chem. 2011 ;32(14):3135-41.