| 查看: 1192 | 回复: 7 | ||
| 【奖励】 本帖被评价5次，作者fegg7502增加金币 5 个 | ||
| 当前主题已经存档。 | ||
[资源]
【转帖】Molegro Virtual Docker and Molegro Data Modeller
|
||
|
Molegro Virtual Docker - Software for drug discovery Protein-Ligand docking with cavity prediction. Similarity screening (template docking). Induced fit and displaceable water models. Molecular descriptors. Create regression models (neural nets and MLR). Repair and mutate residues. For Windows, Mac, and Linux. Molegro Data Modeller - Modelling, mining, and visualization Multiple Linear Regression, Partial Least Squares, Support Vector Machines, and Neural Networks. Principal Component Analysis, Clustering, and Outlier Detection. Feature selection and automated parameter tuning of regression models. Histogram, 2D, and 3D plots. High-dimensional data visualization using Spring-Mass Maps. Molegro Molecular Viewer is a free cross-platform application for visualization of molecules and Molegro Virtual Docker results. Molegro Molecular Viewer is able to visualize most common molecular file formats (PDB, Mol2, SDF) as well as docking results from Molegro Virtual Docker. The main user interface Features at a glance Free! Cross-platform: Windows, Linux, and Mac OS X is supported. Share and view results from Molegro Virtual Docker docking runs. Imports and exports PDB, SDF, Mol2, and MVDML files. Automatic preparation of molecules. Molecular surface and backbone visualization. Labels, sequence viewer and biomolecule generator. Cropping of molecules and clipping planes. Structural protein alignment. 主页：http://www.molegro.com/ 有试用版本下载 0day有破解版，谁能把它下载下来啊！http://0daycheck.eastgame.net/0day/search.php?tlf0dayteam%5BsearchTerm%5D=molegro |
回复此楼» 猜你喜欢
深圳大学应用技术学院招聘凝聚态物理博士后
已经有124人回复
-
求助中医院临床中医中标的青年标书学习，谢谢
已经有5人回复
-
物理学I论文润色/翻译怎么收费?
已经有205人回复
-
浙大物院表面物理课题组长期招收普博及直博学生
已经有259人回复
-
【征稿】Springer Nature热电专题 Discover Materials / Discover Chemistry
已经有47人回复
-
25届硕士申请，材料计算方向
已经有2人回复
-
课题组招1-2名硕士
已经有1人回复
-
机时越来越贵之后，我把一部分 DFT 流程搬到了 AI 计算平台上
已经有0人回复
-
斯坦福大学与Elsevier世界前2%学者新排名查询
已经有0人回复
-
27申博推荐：南京航空航天大学国际前沿院光学方向招收博士生！
已经有19人回复
2楼2009-12-09 06:48:25
3楼2009-12-09 06:49:27
4楼2009-12-09 08:13:33
5楼2009-12-09 09:08:09
7楼2009-12-13 10:39:22
8楼2010-01-02 19:27:08
简单回复
mingdong6楼
2009-12-10 12:53
回复
