共 50 条
- [1] Improving and applying alchemical binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [2] Robust protocols for high-throughput alchemical free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [3] On avoiding sampling and convergence problems in alchemical binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232 : 163 - 163
- [4] Recent Advances in Alchemical Binding Free Energy Calculations for Drug Discovery [J]. ACS MEDICINAL CHEMISTRY LETTERS, 2023, 14 (03): : 244 - 250
- [5] Conformational and alchemical pathways in extended ensemble binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
- [6] Software pipelines for high throughput alchemical binding free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [9] Perturbation potentials to overcome order/disorder transitions in alchemical binding free energy calculations [J]. JOURNAL OF CHEMICAL PHYSICS, 2019, 151 (12):
- [10] Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations [J]. Journal of Computer-Aided Molecular Design, 2018, 32 : 199 - 210