z**l 发帖数: 113 | 1 https://dow.taleo.net/careersection/10060/jobdetail.ftl
首先声明,我不是计算化学那个组的,但是如果有背景符合我可以帮你们递简历。另外
有什么情况要问我可以尽量回答。
Computational Chemist- Discovery Chemistry R&D-1303723
Description
Dow AgroSciences, based in Indianapolis, Indiana, USA, develops leading-edge
crop protection and plant biotechnology solutions to meet the challenges of
the growing world. Dow AgroSciences is a wholly owned subsidiary of The Dow
Chemical Company and had annual global sales of $6.4 billion in 2012.
The Discovery Chemistry... 阅读全帖 |
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n*****r 发帖数: 2125 | 3 sybyl这个女巫我也google才知道的。
挺丰富的形象。
Graceland,挺不错的题目,继续写啊。 |
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n*****r 发帖数: 2125 | 4 想到sybyl,What does she gain in time? |
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l**********1 发帖数: 5204 | 5 人家各做一个residue 3D
Molecular Modeling 的话 还是可能的
//www.ncbi.nlm.nih.gov/pubmed/22448988
Crystal structures of Bcl-xL with 118 (PDB entry 2YXJ) and 4 were used to
model the binding poses of our designed compounds with Bcl-xL. In the
binding models, the structure of Bcl-xL in complex with 4 was superimposed
on that of Bcl-xL in complex with 1. The core scaffold of 4 then replaced
the 4′-chloro-2-methyl-1,1′-biphenyl group of 1 to generate the initial
binding model, which was then refined by a 1 ns mo... 阅读全帖 |
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j****x 发帖数: 1704 | 6 任何基于automated pipeline的结构预测工具其准确性都有其局限,对于同源建模而言
,基于先验知识/经验的序列比对可能是预测准确性的最基本和最重要的保证,而I-
tasser这类自动化/高通量的在线分析工具对于精细分析自然力有不逮。
商业软件里,Discovery Studio以及SYBYL是老牌大腕,功能强劲完善,当然价格也很
高端。如果能找到合作者提供软件平台是最理想了。免费学术软件其实功能也不差,但
往往界面不是特别友好,同时需要一定的编程至少是写脚本的能力,不过如果你以前有
基础,应该也不困难。同源建模自然首选MODELLER,和DS里Homology modoling的模块
师出同门,基本上就是业界标准了。点突变,活性位点分析,小分子对接,动力学分析
,这些根据具体的需要可以有不同的选择/组合,但个人经验很重要,最好找专业人士
合作。 |
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