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VLife Engine: Molecule optimization and conformer generation
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The VLife Engine provided features for the next level molecular modeling functions in the form of force field calculations and conformation generation. It provides multiple force field options to enable optimization of small molecules as well as macro molecules. Conformer generation options with VLife Engine help to explore exhaustivels the conformational space of molecules, which is an essential feature for later stage design methods such as 3D QSAR.
Key features
Energy Minimization
VLife Engine allows energy calculation and minimization of geometry of molecules using various force fields. Interface to a leading semi-empirical method of optimization allows you to expand the optimization options available. The choice of force fields available and flexibilities provided such as optimization of a single as well as a batch of molecules make VLife Engine extremely user friendly for optimization of small as well as macromolecules.
Conformation Analysis
VLife Engine enables expanded scanning of the conformer space through use of a systematic and Monte-Carlo method. Diversity of conformers generated is ensured by features like selection of rotatable bonds and chirality. A convenient worksheet facility provides easy means to further analyze the conformers.
Alignment of Antibacterial
Alignment of antibacterial compounds using template based method
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
Pharmacophore identification Pharmacophore identification and lead optimization for novel antifungals View
NMDA Development and screening of NMDA agonist 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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