BIOVIA Discovery Studio
As official BIOVIA reseller in Europe, Discngine offers BIOVIA's flagship for computational chemistry and biology, Discovery Studio.
Comprehensive Modeling and Simulations for Life Sciences
Drug discovery is a multi-objective optimization. Scientists have to optimize both biochemical potency and characteristics such as ADME and toxicity. The latest release of BIOVIA’s predictive science application, Discovery Studio®, continues the evolution of new science in its market-leading biological simulation tools and enhancements to its small molecule design suite. Built on BIOVIA Foundation™(formerly Accelrys Enterprise Platform), Discovery Studio® is uniquely positioned as the most comprehensive, collaborative modeling and simulation application for Life Sciences discovery research.
With Discovery Studio, you can:
Investigate and test hypotheses in silico prior to costly experimental implementation, thus reducing the time and expense involved in bringing products to market.
Drive scientific exploration from target identification to lead optimization with a wealth of trusted life science modeling and simulation tools.
Enhance personal productivity and boost team collaboration by enabling researchers to share data and make better informed decisions.
CHARMm: Incorporates the latest release of the molecular dynamics simulation software, version 39b1. The well-known CHARMM software is developed by the group of 2013 Nobel Prize in Chemistry, Martin Karplus.
GOLD: Dock Ligands (GOLD) now includes support for the latest release of CCDC GOLD, version 5.3.
NAMD: Distributed with the NAMD CPU edition, version 2.9.
MODELER: Incorporates the latest release of the academic MODELLER, version 9.14.
Discovery Studio Capabilities
Simulation (Minimization, MD, QM/MM)
Macromolecule Design and Analysis
Pharmacophore and Ligand-Based Design
QSAR, ADMET and Predictive Toxicology
New Features in the Latest Release 4.5
Antibody Modeling Cascade.
Automatically generate accurate and robust 3D model structures for one or more antibody Fab or Fv regions, starting from a set of light and heavy antibody chain sequences.
Protein property predictions f(pH).
Includes new features to calculate mean atomic charges, average dipole moment, net charge, electrostatic contribution to the solvation energy as a function of pH.
Together, these properties are useful in studying protein solubility and viscosity, protein-protein docking and enzyme activity.
CHARMM Substructure typing engine.
Uses sub-structure pattern matching to assign atom types for charmm36, charmm27, and charmm22 forcefields.
This provides improved typing for many chemical functional groups, including carbohydrates, lipids, and ligands, etc.(e.g., retinol.)
Handles modified amino acid residues such as glycosylated Asn.
Includes the ability to import and assign custom atom types and parameters
WebGL 3D visualizer.
his release includes the first prototype version of our next generation Web Viewer.
Based on WebGL technology that is now widely available in modern web browsers, it delivers 3D rendering performance comparable to the Discovery Studio client.