| 查看: 1403 | 回复: 7 | |||
| 【奖励】 本帖被评价6次，作者yalefield增加金币 5 个 | |||
| 当前主题已经存档。 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[资源]
一个法国人自己整理的免费软件列表
|
|||
|
Free computer tools in Structural Bioinformatics and Chemoinformatics http://www.vls3d.com/links.html Table I: Patent search Table II: Chemistry toolkits, graphics (small and macro-molecules), other links to bioinformatics and utilities Table III: ADME/tox prediction and databases Table IV: Free compound collections, target-ligand databases and utilities Table V: Small molecules 2D-to-3D, 2D or 3D search and de novo ligand builder Table VIa: Receptor 3D structures, homology modeling, structure prediction and macromolecular interaction databases Table VIb: Pocket prediction and search for functional regions on targets, analysis of interfaces, Protein docking Table VII: Comparison of binding sites/protein functional sites – protein function prediction (see also Table VIb) Table VIII: Target analysis: flexibility – energy minimization – normal modes – molecular dynamics –water molecules in target – ions – pKa and electrostatics – point mutations and related utilities Table IX: Docking and/or scoring engines for small molecule-macromolecule interactions... Support Vector Machines References (they are either in the tables or at the end) 附件： B. O. Villoutreix, N. Renault, D. Lagorce, O. Sperandio, M. Montes and M. A. Miteva Free Resources to Assist Structure-Based Virtual Ligand Screening Experiments Review Current Protein and Peptide Science, 2007, 8(4):381-411. |
回复此楼» 猜你喜欢
德国亥姆霍兹Hereon中心招收两位医用镁合金腐蚀与LPSO相变方向2026公派博士生
已经有0人回复
-
推荐一款可以AI辅助写作的Latex编辑器SmartLatexEditor，超级好用，推荐试试
已经有11人回复
-
物理学I论文润色/翻译怎么收费?
已经有184人回复
-
2026-CJ开始申报了
已经有1人回复
|
那就再看看： 化学信息学释疑 http://muchong.com/bbs/viewthread.php?tid=220153 关于化学信息学的误解与错误 http://muchong.com/bbs/viewthread.php?tid=469963 化学信息学是谁最先提出来的？ http://muchong.com/bbs/viewthread.php?tid=238233 为什么说化学信息学不是文献检索？ http://muchong.com/bbs/viewthread.php?tid=238892 计算机化学和化学信息学联系和区别 http://www.muchong.com/viewarticle.php?id=237776 关于国内从事计算机化学研究的一些情况 http://www.muchong.com/viewarticle.php?id=237889 关于计算机化学的书籍 http://www.muchong.com/bbs/viewthread.php?tid=237895 计算机辅助有机合成的历史与人物（中国） http://www.muchong.com/bbs/viewthread.php?tid=369487 计算机辅助有机合成的历史与人物（外国） http://www.muchong.com/bbs/viewthread.php?tid=369471 [ Last edited by yalefield on 2008-2-4 at 23:29 ] |
3楼2008-02-04 23:25:06
