共 50 条
- [21] On the use of orientational restraints and symmetry corrections in alchemical free energy calculations [J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (08):
- [22] Alchemical free energy calculations for theophylline/caffeine to RNA aptamer with translational [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
- [24] High-throughput calculations of magnetic topological materials [J]. NATURE, 2020, 586 (7831) : 702 - +
- [25] High-throughput calculations in the context of alloy design [J]. MRS Bulletin, 2019, 44 : 252 - 256
- [26] High-throughput calculations of magnetic topological materials [J]. Nature, 2020, 586 : 702 - 707
- [27] High-throughput calculations in the context of alloy design [J]. MRS BULLETIN, 2019, 44 (04) : 252 - 256
- [28] Predicting partition coefficients and solvation using alchemical free energy calculations [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [29] 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