共 6 条
- [1] Using multisite lambda dynamics for the calculation of 512 binding free energies of HIV-RT in ∼1.5 μs ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [2] Predicting binding-free energies in a combinatorial chemical space using a GPU implementation of multisite lambda dynamics ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
- [3] Predicting Binding Free Energies in a Large Combinatorial Chemical Space Using Multisite λ Dynamics JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 9 (12): : 3328 - 3332
- [5] Multisite lambda dynamics can compute precise free energies of binding in combinatorically large chemical spaces featuring ligand and protein perturbations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 254