BIOVIA Discovery Studio is the original version of BIOVIA for the sciences of prediction, modeling and simulation in the life sciences. BIOVIA Discovery Studio includes a highly efficient CHARMm molecular mechanics simulation program. With more than 30 years of careful academic research, CHARMm has been developed with a primary focus on study 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 application with a long record of successful commercial applications. Using its unique approach to solving quantum mechanical equations, DMol3 is one of the fastest methods available for computing, an advantage that is especially evident for larger systems with more than 500 atoms.
Features and specifications of BIOVIA Discovery Studio:
- Molecular mechanical calculations (MM) using CHARMm c41b1
- Supports a wide range of power fields, including CGenFF, charmm36, charmm27, charmm22, CHARMm, CHARMm-polarH, CFF, MMFF and more
- Full support for CHARMM partition mechanism and support for invalid custom definition
- Rapid and accurate ionization of residual proteins and pKs using the born CHARMm (GB) solvent model
- Fast method of solvent drinking water with optional anti-ions suitable for very large molecular systems
- Perform any explicit solvent or minimize solvent-based molecular mechanics (MM) based on GB
- Perform an explicit solvent or solvent-based dynamic molecular simulation
- Add an implicit membrane to the protein structure so that you can develop simulation models based on field strength
- Use CDOCKER, a CHARMm-based docking engine for flexible ligand-based bonding and docking refining.
Listed in the Readme file.
The 2016 version was installed on November 16, 1996 in 64-bit Windows 10 and was successfully activated.
For version 3, as shown in the Readme file, the modules are installed according to the selected license.
DS BIOVIA Pipeline Pilot Server (Incl. Discovery Studio Server) 2016 v16.1.0 x64
BIOVIA Discovery Studio 3.0 x86