24小时热门版块排行榜

返回列表

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

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