IBBR Publications

Found 8 results
Filters: Author is Yang, Mingjun  [Clear All Filters]
2018
Aytenfisu AH, Yang M, Mackerell AD. CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses. J Chem Theory Comput. 2018 .
2017
Yang M, Huang J, Simon R, Wang L-X, Mackerell AD. Conformational Heterogeneity of the HIV Envelope Glycan Shield. Sci Rep. 2017 ;7(1):4435.
Yang M, Simon R, Mackerell AD. 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.
Baliban SM, Yang M, Ramachandran G, Curtis B, Shridhar S, Laufer RS, Wang JY, Van Druff J, Higginson EE, Hegerle N, et al. Development of a glycoconjugate vaccine to prevent invasive Salmonella Typhimurium infections in sub-Saharan Africa. PLoS Negl Trop Dis. 2017 ;11(4):e0005493.
2016
Yang M, d'Ortoli TAngles, Säwén E, Jana M, Widmalm G, Mackerell AD. Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations. Phys Chem Chem Phys. 2016 ;18(28):18776-94.
2015
Yang M, Mackerell AD. 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.
Yang M, Huang J, Mackerell AD. 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.
Vanommeslaeghe K, Yang M, Mackerell AD. Robustness in the fitting of molecular mechanics parameters. J Comput Chem. 2015 ;36(14):1083-101.