IBBR Publications
Found 8 results
Filters: Author is Yang, Mingjun [Clear All Filters]
CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses. J Chem Theory Comput. 2018 .
. Conformational Heterogeneity of the HIV Envelope Glycan Shield. Sci Rep. 2017 ;7(1):4435.
. Conformational Preference of Serogroup B Salmonella O Polysaccharide in Presence and Absence of the Monoclonal Antibody Se155-4. J Phys Chem B. 2017 ;121(15):3412-3423.
. Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa. PLoS Negl Trop Dis. 2017 ;11(4):e0005493.
Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations. Phys Chem Chem Phys. 2016 ;18(28):18776-94.
. Conformational sampling of oligosaccharides using Hamiltonian replica exchange with two-dimensional dihedral biasing potentials and the weighted histogram analysis method (WHAM). J Chem Theory Comput. 2015 ;11(2):788-99.
. Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension. J Chem Theory Comput. 2015 ;11(6):2855-67.
. Robustness in the fitting of molecular mechanics parameters. J Comput Chem. 2015 ;36(14):1083-101.
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