Molegro Virtual Docker v4.0 for Windows, Linux, MacOSX | 151MB
Molegro Virtual Docker - is an integrated software package for predicting the interactions of the type of protein-ligand in modeling of protein structures. It covers all aspects of the process of molecular assembly - from the creation of protein molecules to determine their potential in the centers, which bind ligands, and, moreover, predicts the nature of these relationships. Molegro Virtual Docker (MVD) provides the user with a set of modern high-class tools to implement such an assembly, which is based on a new, more effective methods of optimizing the structure of organically combined with the convenient intefeysom that delivers high performance and reliability of the software. Comparative testing of similar programs created by other companies, MVD showed the highest accuracy (docking accuracy) in predicting the molecular process of protein synthesis: MVD - 87%, Glide - 82%, Surflex - 75%, FlexX - 58%.
Molegro Data Modeller offers different types of data modelling:
Multiple Linear Regression models simple linear relations between data, and is fast and efficient.
Partial Least Squares reduces the dimensionality of the data set before creating a model. Suitable for data sets with many independent variables.
Neural Networks are able to model highly non-linear relations.
Support Vector Machines are also able to model complex relations and tend to be less prone to overfitting than Neural Networks.
K-Nearest-Neighbors for simple classification.
Different regression types.
Feature Selection and Cross-Validation
Feature selection is easy to set up in the regression wizard: different schemes can be chosen (Forward, Backward, and Hill Climber selection) and be combined with different model selection criteria (Bayes Information Criterion or cross validated R ^ 2). Different descriptor rankings can be employed when searching the descriptors.
Cross-validation is just as easy. Cross-validate using a specified number of random folds, by using Leave-One-Out, or by manually creating folds.
Visualization
The different visualization types are highly interactive. Selections in the spreadsheet are directly shown in the plots and vice versa. It is also possible to apply different user-defined coloring schemes and apply jitter (add artificial noise to the data plots).
Cross-Platform
Molegro Data Modeller works with:
Windows XP and Vista.
Mac OS X (10.4 and later, PowerPC and Intel supported).
Most major Linux distributions.
Other Features
Scrambling (shuffling) of columns and "replace with random values" for performing y-Randomization.
Data preparation: scaling, normalization, repair of missing values.
Statistical measures: Pearson and Spearman correlation, Confusion matrices, F-measures, and many others.
Correlation Matrix.
Cross-term generation.
Custom Data Views and Grid Molecule Depictions.
Similarity Browser (Euclidean, Manhattan, Cosine, and Tanimoto measures).
Gnuplot export (for creating and customizing publishing quality plots).
Online help and automatic check for updates.
Include:
Molegro.Virtual.Docker.v4.0.Incl.Keygen-iNViSiBLE
Molegro.Virtual.Docker.v4.0.Linux.Incl.Keygen-iNViSiBLE
Molegro.Virtual.Docker.v4.0.Linux.x64.Incl.Keygen-iNViSiBLE
Molegro.Virtual.Docker.v4.0.MacOSX.Intel.Incl.Keygen-iNViSiBLE
Molegro.Virtual.Docker.v4.0.MacOSX.PPC.Incl.Keygen-iNViSiBLE
Language: English
Medicine: Yes
Code:
http://hotfile.com/dl/20381005/c83b59c/Molegro.Virtual.Docker.v4.0.part1.rar.html
http://hotfile.com/dl/20380844/44a9a90/Molegro.Virtual.Docker.v4.0.part2.rar.html
