共 50 条
- [45] Designing new drug candidates as inhibitors against wild and mutant type neuraminidases: molecular docking, molecular dynamics and binding free energy calculations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 41 (16): : 7847 - 7861
- [46] Computational investigation of potent inhibitors against YsxC: structure-based pharmacophore modeling, molecular docking, molecular dynamics, and binding free energy JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 41 (03): : 930 - 941
- [48] Exploring binding modes of the selected inhibitors to phosphodiesterase delta by all-atom molecular dynamics simulations and free energy calculations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2019, 37 (09): : 2415 - 2429