… 度造成了影响,应用广泛的DOCK,AutoDock等 对接软件对接精确度能仅… Flexible ligand docking
using a genetic algorithm[J]. J … Docking of flexible ligands to flexible receptors in solution by …

… of scoring functions, their possible limitations, and their suitable application domains. The
second chapter introduces the docking program AutoDock which is the basis of this study. In …

… 本文基于消息传递并行程序设计平台,发展了Autodock并行程序.采用两种不同的并行程序设计
方法, 对… Distributed automated docking of flexible ligands tO proteins:parallel applications …

… :Molecular docking predicts interactions between proteins or enzymes and their ligands in
… methods,molecular docking takes the advantage of rapid,automatic,high throughput, low …

… tool Autodock using large molecular docking applications to advance the performance of …
二,對符合物化性質條件的ligand 做資料 結構的前處理,符合SODOCK 的規格 (即AutoDock 的規格).…

… Holt 等成功地把Autodock 和Surflex 应用到道 诺霉素和远霉素… energy minimization with
flexible ligands and flexible targets [… Validation of automated docking programs for docking and …

… the searching of correct docking sites between … application of our new method in the drug
design procedure. Further studies with partially flexible protein regions added into the docking …

… 适配体分子往往具有一定的柔性,它在对接的过程中往往会发生构象上的变化,因此只考虑普通
的刚性对接可能会带来较大的误差,相比前面的几款软件,AutoDock和AutoDock Vina加入了更多的…

… AutoDock 4. 2 was used to dock Puerarin and AChE. Molecular dynamics simulation was
conducted by YASARA platform, binding free energy of the composite system was calculated …

… to enrich the screening results of various docking tools (eg GOLD, AUTODOCK, GEMDOCK,)
[19, … We employed our docking tool, GEMDOCK, to generate protein-ligand interactions and …