共 50 条
- [1] Solvation free energies via alchemical free energy calculations: Applications and challenges ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
- [2] Predicting partition coefficients and solvation using alchemical free energy calculations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [5] Perspective: Alchemical free energy calculations for drug discovery JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (23):
- [6] Improving and applying alchemical binding free energy calculations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [8] Alchemical transformations for concerted hydration free energy estimation with explicit solvation JOURNAL OF CHEMICAL PHYSICS, 2021, 154 (05):