24小时热门版块排行榜

返回列表

当前主题已经存档。

linxi1454

银虫 (正式写手)

应助: 0 (幼儿园)
金币: 245
散金: 1814
红花: 3
帖子: 503
在线: 43.1小时
虫号: 443673
注册: 2007-10-27
专业: 半导体物理

[交流] 【分享】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

[ Last edited by xuefei06 on 2008-12-8 at 23:25 ]

回复此楼

» 猜你喜欢

26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1人回复
如何从铁电相到顺电相。已经有1人回复
物理学I论文润色/翻译怎么收费? 已经有153人回复
各位大佬，求一份最新Wien2k版本作为学习用途已经有0人回复
南科大活性流体和软物质课题组诚招2027级博士、硕士研究生和博后已经有38人回复
瑞典林雪平大学博士后招聘｜PEC Water Splitting 方向已经有24人回复
PRB投稿，Acknowledgment sent to author状态十天了已经有3人回复
PVA溶解已经有1人回复
基金申请已经有44人回复

1楼 2008-12-01 16:32:04

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

acdmail1

金虫 (小有名气)

应助: 0 (幼儿园)
金币: 1322.5
帖子: 207
在线: 149.8小时
虫号: 37303
注册: 2004-02-14
专业: 药物化学

那个版本的？

回复此楼

2楼2008-12-02 08:43:37

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

gongxd325

至尊木虫 (文坛精英)

应助: 177 (高中生)
金币: 38285.6
散金: 13187
红花: 109
帖子: 34003
在线: 1847.4小时
虫号: 233962
注册: 2006-03-30
性别: MM
专业: 理论和计算化学

★ ★
zzgyb(金币+2,VIP+0):谢谢你的参与，欢迎再次光临计算模拟版！

Molegro Virtual Docker 2008 v2.4.0 (加密了无法打开，哪个能找到密码请告知)

http://rapidshare.com/files/1447 ... 008.v2.4.0-NULL.rar

Molegro Data Modeller 2008 v1.5.0 (Pass: FreeForAll)

http://rapidshare.com/files/1405 ... 008.v1.5.0-NULL.rar

另有2007的crack，但没有MVD2007程序