共 50 条
- [32] Calculation of Relative Free Energies for Ligand-Protein Binding, Solvation, and Conformational Transitions Using the GROMOS Software JOURNAL OF PHYSICAL CHEMISTRY B, 2011, 115 (46): : 13570 - 13577
- [35] Direct Calculation of Entropic Components in Cohesive Interaction Free Energies JOURNAL OF PHYSICAL CHEMISTRY B, 2021, 125 (39): : 11026 - 11035
- [40] Fragment ER: Efficient and accurate binding free energy calculation method for protein-ligand complex ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253