MacroModel
Schrödinger, LLC | |
|---|---|
| Initial release | 1990 |
| Stable release | 2021-3
|
GPGPU | |
| Available in | English |
| Type | Computational chemistry |
| License | Proprietary, Commercial software |
| Website | www |
MacroModel is a computer program for
Schrödinger, LLC
.
It performs simulations in the framework of
stochastic dynamics and mixed Monte Carlo algorithms. MacroModel supports Windows, Linux, macOS, Silicon Graphics (SGI) IRIX, and IBM AIX
.
The Macromodel software package was first been described in the scientific literature in 1990,[2] and has been subsequently acquired by Schrödinger, Inc. in 2000.[3]
Key features
- Implicit solvation (continuum solvation) model, Generalized Born model augmented with the hydrophobic solvent accessible surface area (SA) term (GBSA)[4][5]
- Merck Molecular Force Field (MMFF), OPLS
- Molecular dynamics
- Free energy perturbation
Known version history
- 2013: version 10.0
- 2012: version 9.9.2
- 2011: version 9.9.1
- 2010: version 9.8
- 2009: version 9.7
- 2008: version 9.6
- 2007: version 9.5
- 2006: version 9.1
- 2005: version 9.0
- 2004: version 8.5
- 2003: version 8.1
See also
- Comparison of nucleic acid simulation software
- Comparison of force field implementations
- List of software for molecular mechanics modeling
- List of software for Monte Carlo molecular modeling
- List of protein structure prediction software
- Molecular design software
- Molecular modelling
- Molecule editor
- Abalone (molecular mechanics)
- Ascalaph Designer
- CHARMM
- GROMACS
- MDynaMix
- NAMD
- Tinker (software)
References
- .
- ISSN 1096-987X.
- ^ "Overview | Schrödinger". www.schrodinger.com. Retrieved 2017-11-30.
- .
- PMID 18422307.