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ProViz: Visualization of molecular properties
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ProViz is a powerful tool to study molecular structure properties that help in evaluation and visualization of three dimensional molecular properties including those derived from ab initio quantum mechanical wave functions obtained through specialized software programs. Interfacing with VLife Engine provides the user access to tools for generating high quality graphics for visualizing these properties. ProViz can also generate topographical characteristics of some of these properties. ProViz thus helps to understand the 'know-why' behind chemical interactions and stimulates consideration on the structure and chemical bonding via molecular properties. It enables better understanding of reaction feasibility through energetics and correlations of structural parameters.
Key features
ProViz can read the wavefunction output file from specialized software programs and calculate a variety of three dimensional molecular properties like electron density, molecular electrostatic potential, electron momentum density, etc.
Topological characteristics
ProViz also helps in obtaining topographical characteristics of some of these scalar fields. Users can evaluate electrostatic potential on the van der Waals surface and its corresponding statistical values on the surface.
ProViz provides high quality graphics tools for visualizing the molecular scalar fields calculated over a three dimensional grid in the form of textured planes, contours, isosurfaces or textured van der Waals surface.
Bader Surface
Bader surface of aspirin molecule
Advantages of VLife products
Peer reviewed algorithms
Algorithms in VLifeMDS have wide acceptance in scientific community. These algorithms are either published or are patent pending. There are multiple case studies of research conducted with VLifeMDS.
Ease of plug-in / plug-out
Although an integrated platform, VLifeMDS has a modular architecture. Customers can buy the whole suite in one-go or buy incrementally as per the evolving needs of their research projects. Incremental module additions seamlessly integrate with rest of the modules to provide a consistent experience.
Ease of customization & integration
VLifeMDS is developed fully in-house with complete ownership of every line of code. This provides unprecedented flexibility to add-on/ customize the product to suit customer specifications as well as integrating it to customers' existing discovery workbench.
Case studies: Application of VLife products
Role of Electron donors Role of Electron donors in propylene polymerization View
anti - depressants Development of novel anti - depressants View
Phosphorylation Vs Glycosylation Phosphorylation Vs Glycosylation in targets of Hexosaminebiosynthetic pathway View
Product suites
Full function suite
Comprehensive 2D/ 3D QSAR
All about proteins & docking
Functional products
Molecule visualization
VLife Engine
Conformer, force field analysis
Homology modeling & analysis
Protein - Ligand docking
Pharmacophore generation
Combinatorial library generation
Database searches
Property visualization
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