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computational chemistry中文什么意思

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  1. Is an electronic workbench for bioinformatics , computational biology , and computational chemistry
    是生物信息學(xué)、計(jì)算生態(tài)學(xué)和計(jì)算化學(xué)使用的電子工作臺(tái)。
  2. Most methods in [ [ computational chemistry ] ] today start by calculating the mos of the system
    目前[ [計(jì)算化學(xué)] ]的許多方法都是由計(jì)算體系的分子軌道開(kāi)始的。
  3. For more advanced education , this livecd has a collection of bioinformatics , computational biology , and computational chemistry tools
    Vigyaan面向更高級(jí)的教學(xué)，這個(gè)livecd提供了一系列生物信息學(xué)、計(jì)算生態(tài)學(xué)和計(jì)算化學(xué)的工具。
  4. It is the underlying mathematical framework of many fields of physics and chemistry , including condensed matter physics , atomic physics , molecular physics , computational chemistry , quantum chemistry , particle physics , and nuclear physics
    它是許多物理學(xué)和化學(xué)領(lǐng)域的根本數(shù)學(xué)框架，包括濃縮物質(zhì)物理學(xué)、原子物理學(xué)、分子物理學(xué)、計(jì)算化學(xué)、量子化學(xué)、粒子物理學(xué)和核子物理學(xué)。
  5. One other thing of importance , is that virtual library screening ( what we do here ) , based on structure is probably not accurate enough yet to differentiate between compounds that bound to different structures of the different versions of the protein that happen in nature , so the structure we use here is really as good as you can get anyhow with current computational chemistry docking
    另外一件很重要的事情，虛擬實(shí)驗(yàn)室（我們這里所作的）所基于的架構(gòu)對(duì)于區(qū)分“現(xiàn)實(shí)中不同版本蛋白質(zhì)的不同架構(gòu)去組成的化合物”或許還不是那么精確，所以我們現(xiàn)在這里用的架構(gòu)的確是你可以用現(xiàn)在的化學(xué)計(jì)算“鑲嵌”方式所能得到的最好的了。

百科釋義

    Computational chemistry is a branch of chemistry that uses principles of computer science to assist in solving chemical problems. It uses the results of theoretical chemistry, incorporated into efficient computer programs, to calculate the structures and properties of molecules and solids.
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