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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.
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
Rapid solvent method for 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, to perform flexible ligand-based bonding and docking refining.
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
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.
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