Is an electronic workbench for bioinformatics , computational biology , and computational chemistry 是生物信息學、計算生態學和計算化學使用的電子工作臺。
Most methods in [ [ computational chemistry ] ] today start by calculating the mos of the system 目前[ [計算化學] ]的許多方法都是由計算體系的分子軌道開始的。
For more advanced education , this livecd has a collection of bioinformatics , computational biology , and computational chemistry tools Vigyaan面向更高級的教學,這個livecd提供了一系列生物信息學、計算生態學和計算化學的工具。
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 它是許多物理學和化學領域的根本數學框架,包括濃縮物質物理學、原子物理學、分子物理學、計算化學、量子化學、粒子物理學和核子物理學。
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,虛擬實驗室(我們這里所作的)所基于的架構對于區分“現實中不同版本蛋白質的不同架構去組成的化合物”或許還不是那么精確,所以我們現在這里用的架構的確是你可以用現在的化學計算“鑲嵌”方式所能得到的最好的了。
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.