BioSolveIT LeadIT 是一款功能强大的,易于使用的 FBLD(Fragment Based Lead Discovery 基于分子片段的药物研究)与 SBDD(structure-baseddrugdesign,基于结构的药物设计)平台。
LeadIT 的计算功能融合了生物电子等排取代(Bioisosteric Replacement),片段进化,片段合并生长,以及传统的蛋白配体对接。
LeadIT 重新界定了生物分子建模软件的界面设计,带来全新的用户交互性。在几秒钟内创建一个幻灯片来展示科学想法、综合性化学构想,变得再简单不过了。药物化学家们的头脑风暴只需要鼠标的几个点击就可以实现。
BioSolveIT LeadIT 2.1.8 | 44 MB
LeadIT, a powerful, new, aggressively easy to use platform for FBDD and SBDD.This software is a computational fusion of bioisosteric replacement, fragment evolution, merging and growing fragments, and traditional protein-ligand docking. LeadIT redefines the current state of the art in modeling software interface design and re-invents user interaction. Creating a slide show of novel, synthetically accessible chemical ideas in seconds couldn’t be easier. Stimulate medicinal chemists’ minds with an investment of literally only 5-10 mouse clicks Pick and choose molecules, refine results with a chemist and/or virtually validate them via docking with just a few more clicks.
Home Page – http://www.biosolveit.de/LeadIT/
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