共 50 条
- [32] BRIDGE: An Open Platform for Reproducible Protein-Ligand Simulations and Free Energy of Binding Calculations BIO-PROTOCOL, 2020, 10 (17):
- [33] Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations SCIENTIFIC REPORTS, 2015, 5
- [34] Non-equilibrium alchemical molecular dynamics simulations of protein-ligand binding ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
- [35] Evaluation of protein-ligand affinity prediction using steered molecular dynamics simulations JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017, 35 (15): : 3221 - 3231
- [36] AMBERDOCK: Application of molecular dynamics simulations and GB/SA in protein-ligand docking ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 108 - 108
- [37] Molecular dynamics and Monte Carlo simulations for protein-ligand binding and inhibitor design BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2015, 1850 (05): : 966 - 971
- [38] Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations Scientific Reports, 5