ClickMD：一个直观的面向网络的分子动力学平台。
ClickMD: an intuitive web-oriented molecular dynamics platform.
机构信息
Pharmaceutical Biochemistry Group, School of Pharmaceutical Sciences, SCIENCES II, Université de Genève, Quai E Ansermet, 30 1211 Genève, Switzerland.
出版信息
Future Med Chem. 2011 Jun;3(8):923-31. doi: 10.4155/fmc.11.59.
BACKGROUND
Molecular dynamics (MD) simulations are broadly used to reproduce protein motions at an atomic level of detail. Running MD simulations is generally considered an expert-driven task.
DISCUSSION
ClickMD provides an integrated web-oriented platform for processing and analyzing the time-dependent behavior of a biomolecular system in an MD workflow. ClickMD is freely available online and can be easily integrated into the drug-design process, in particular in combination with molecular docking simulations.
CONCLUSION
ClickMD has the potential to reduce the shuffling among various software applications and to facilitate the seamless processing of the MD trajectories.
背景
分子动力学（MD）模拟被广泛用于在原子细节水平上再现蛋白质运动。运行 MD 模拟通常被认为是一项需要专家参与的任务。
讨论
ClickMD 提供了一个集成的面向网络的平台，用于在 MD 工作流程中处理和分析生物分子系统的时变行为。ClickMD 可在线免费获得，并可轻松集成到药物设计过程中，特别是与分子对接模拟相结合时。
结论
ClickMD 有可能减少各种软件应用程序之间的混乱，并促进 MD 轨迹的无缝处理。
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