BIOVIA Discovery Studio, formerly known as Accelrys Discovery Studio, is a comprehensive software suite designed for computational chemistry and molecular modeling in the field of drug discovery and life sciences research. It is developed and marketed by BIOVIA, a company specializing in scientific software solutions.
Discovery Studio provides a wide range of tools and capabilities to aid researchers in studying and understanding the structure, function, and behavior of molecules. It offers an integrated environment for tasks such as molecular modeling, protein structure prediction, ligand docking, virtual screening, and molecular dynamics simulations.
Key features of BIOVIA Discovery Studio include:
- Molecular Visualization: The software allows users to visualize and analyze molecular structures in 2D and 3D, providing various rendering options, surface representations, and interactive manipulation of molecules.
- Protein Modeling and Simulation: Discovery Studio includes tools for protein structure prediction, homology modeling, loop refinement, and protein-ligand docking simulations. These capabilities aid in understanding protein structure-function relationships and the interactions between proteins and other molecules.
- Ligand Design and Optimization: Users can design and optimize small molecules as potential drug candidates through tools for virtual screening, lead optimization, combinatorial library design, and structure-based drug design.
- Pharmacophore Modeling: Discovery Studio offers tools for constructing and validating pharmacophore models, which represent the essential features required for a molecule to interact with a target receptor. Pharmacophore modeling aids in virtual screening and hit identification.
- Molecular Dynamics Simulations: The software allows researchers to perform molecular dynamics simulations to study the motion, conformational changes, and interactions of molecules over time. This enables the exploration of protein dynamics, ligand binding, and other molecular phenomena.
- Integration with Databases and Workflows: BIOVIA Discovery Studio integrates with various databases, such as the Protein Data Bank (PDB), allowing users to access a wealth of molecular information. It also provides workflow automation features to streamline repetitive tasks and facilitate data analysis.
Discovery Studio is widely used by scientists and researchers in pharmaceutical companies, academic institutions, and research organizations to accelerate drug discovery and development processes, gain insights into biological systems, and make informed decisions based on computational modeling and simulations.
BIOVIA Discovery Studio is the original version of BIOVIA for predictive sciences and modeling and simulation in life sciences. BIOVIA Discovery Studio includes the highly efficient molecular mechanics simulation program CHARMm. With more than 30 years A rigorous review of academic research, CHARMm has been developed with a primary focus on studying proteins, peptides, small molecule ligands, nucleic acids, lipids and carbohydrates.
For studies based on quantum mechanics, this software includes the DMol3 program. DMol3 is a DFT program with a long track record of successful commercial applications. Using its unique approach to solving the quantum mechanical equations, DMol3 is one of the fastest methods available for performing calculations, an advantage that is especially evident for larger systems, which have more than 500 atoms.
Facilities and features of BIOVIA Discovery Studio collection:
- Molecular mechanics (MM) calculations using CHARMm c41b1
- Support for a wide variety of force fields, including CGenFF, charmm36, charmm27, charmm22, CHARMm, CHARMm-polarH, CFF, MMFF and more
- Full support for CHARMM partition mechanism and support for custom invalid definition
- Perform fast and accurate ionization of protein and residue pKs using the born CHARMm (GB) solvent model
- A rapid drinking water solvent method with optional counterions suitable for very large molecular systems
- Perform either explicit solvent or solvent-based molecular mechanics (MM) minimization based on GB
- Perform an explicit solvent or solvent-based molecular dynamics simulation
- Add an implicit membrane to the protein structure to be able to formulate simulation models based on the force field
- Use CDOCKER, a CHARMm-based docking engine to perform flexible ligand-based docking and docking refinement.
BIOVIA Discovery Studio Operating System
Microsoft Windows 7, Windows Server 2008, Windows 8, 8.1, Windows 2012 Server, Red Hat Enterprise Linux v6.3+, Red Hat Enterprise Linux v7, SUSE® Linux Enterprise Server 11
Processor: An Intel-compatible processor ≥2 GHz with x86_64 architecture is required
RAM: A minimum of 4 GB of memory. Additional RAM will allow you to work with more and larger systems
It is given in the readme file.
The 2016 version has been installed and activated successfully in Windows 10 64-bit on November 25, 1996.
In the case of version 3, as mentioned in the Readme file, the modules are installed according to the selected license.
BIOVIA Discovery Studio download link
DS BIOVIA Pipeline Pilot Server (Incl. Discovery Studio Server) 2016 v16.1.0 x64
Download part 1 – 1 GB
Download part 2 – 1 GB
Download part 3 – 1 GB
Download part 4 – 1 GB
Download part 5 – 1 GB
Download part 6 – 1 GB
Download part 7 – 487 MB
Download DS BIOVIA Discovery Studio Client 2016 v188.8.131.5250
BIOVIA Discovery Studio 3.0 x86
Last Updated on July 13, 2023 by admin