如何用python来计算两个苯环几何中心的距离？PDB 1UDT是西地那非与PDE5A的复合物晶体结构，本文以其配体西地那非杂环与蛋白A链PHE820侧链苯环几何中心之间距离计算为例，演示了如何在python里通过picked_atoms获得在图形界面中被鼠标选中原子的坐标；如何进一步用numpy计算选中原子的几何中心；最后计量两个平面环中心之间的距离。本文虽然在Flare的python界面下实现，但可以在任何安装numpy的python环境下重现。https://t.cn/A6JX0ktI
#计算机辅助药物设计##化学信息学#

非极性氨基酸：甲硫氨酸 （ Met & M）缬氨酸（Val & V）异亮氨酸（Ile & I）‼️亮氨酸（ Leu &L）苯丙氨酸（Phe & F）色氨酸（Trp & W） 丙氨酸（Ala & A）‼️ 脯氨酸（Pro & P）
极性不带电荷氨基酸：甘氨酸（Gly & G） ‼️苏氨酸（Thr & T）‼️ 酪氨酸（Tyr & Y） ‼️半胱氨酸（Cys & C） 丝氨酸（Ser & S） 天冬酰胺 （Asn & N）谷胱酰胺（Gln & Q）
极性带负电荷氨基酸：天冬氨酸（Asp & D） 谷氨酸（Glu & E）
极性带正电荷氨基酸：赖氨酸（Lys & K） 精氨酸（Arg & R）组氨酸（His & H）
记不住怎么办！！！
生化杀我！！！

There are various studies pointing to different levels of vaccine protection against the Delta variant, but we note that results across observational studies may be inconsistent. On symptomatic infection, (i) A Public Health England (PHE) study based on data collected in England between April 5 and May 16 [ref] suggested that full vaccination efficacy against symptomatic disease caused by the Delta strain was ~88% with the Pfizer/BioNTech vaccine and ~60% with the AstraZeneca (covered by Mark Purcell) vaccine; (ii) A separate study in Scotland suggested that vaccine efficacy against the Delta variant is 79% and 60% with the Pfizer/BioNTech and AstraZeneca vaccine, respectively [ref]; (iii) A study in Canada suggests that the Pfizer/BioNTech vaccine is 87% protective against the Delta variant [ref]. On hospitalization, (i) PHE studies demonstrated that the efficacy against hospitalization is ~96% for the Pfizer/BioNTech vaccine after two doses [ref], and 92% for the AstraZeneca vaccine after two doses [ref]; (ii) The Canada study suggests that 1 dose of the Pfizer/Moderna/AstraZeneca vaccine offers 78%/96%/88% protection against severe outcomes