Effect of single-site mutations on hydrophobic-polar lattice proteins G Shi, T Vogel, T Wüst, YW Li, DP Landau Physical Review E 90 (3), 033307, 2014 | 28 | 2014 |
Protein folding of the HOP model: a parallel Wang—Landau study G Shi, T Wüst, YW Li, DP Landau Journal of Physics: Conference Series 640 (1), 012017, 2015 | 16 | 2015 |
The role of chain-stiffness in lattice protein models: A replica-exchange Wang-Landau study ACK Farris, G Shi, T Wüst, DP Landau The Journal of Chemical Physics 149 (12), 2018 | 14 | 2018 |
Characterizing folding funnels with replica exchange Wang-Landau simulation of lattice proteins G Shi, T Wüst, DP Landau Physical Review E 94 (5), 050402, 2016 | 9 | 2016 |
Folding in a semi-flexible lattice model for Crambin G Shi, ACK Farris, T Wüst, DP Landau Journal of Physics: Conference Series 686 (1), 012001, 2016 | 8 | 2016 |
Task-based parallel computation of the density matrix in quantum-based molecular dynamics using graph partitioning P Ghale, MP Kroonblawd, S Mniszewski, CFA Negre, R Pavel, S Pino, ... SIAM Journal on Scientific Computing 39 (6), C466-C480, 2017 | 5 | 2017 |
Replica Exchange Wang—Landau Simulation of Lattice Protein Folding Funnels G Shi, T Wüst, PL David Journal of Physics: Conference Series 905 (1), 012016, 2017 | 4 | 2017 |
Influence of substrate pattern on the adsorption of HP lattice proteins MS Wilson, G Shi, T Wüst, YW Li, DP Landau Molecular Simulation 44 (12), 1025-1030, 2018 | 1 | 2018 |
Effects of Stiffness on Low Energy States in a Lattice Protein Model for Crambin ACK Farris, G Shi, T Wüst, DP Landau Journal of Physics: Conference Series 1012 (1), 012008, 2018 | 1 | 2018 |
Crambin Homologues in the H0P Lattice Model Z Zhang, ACK Farris, G Shi, T Wüst, DP Landau Journal of Physics: Conference Series 1290 (1), 012018, 2019 | | 2019 |
Elucidating thermal behavior, native contacts, and folding funnels of simple lattice proteins using replica exchange Wang-Landau sampling G Shi, T Wüst, DP Landau The Journal of chemical physics 149 (16), 2018 | | 2018 |