过去一年中添加的文章，按日期排序
Studying the Collective Functional Response of a Receptor in Alchemical Ligand Binding Free Energy Simulations with Accelerated Solvation Layer Dynamics
W Jiang - Journal of Chemical Theory and Computation, 2024 - ACS Publications
97 天前 - … the receptor, and convergence of binding affinity calculations is obtained at a sweet-spot
simulation time scale. … This is a severe bottleneck especially for high throughput ligand …
simulation time scale. … This is a severe bottleneck especially for high throughput ligand …