= Short list of molecular mechanics programs =
Min - Optimization,MD - Molecular Dynamics,MC - Monte Carlo,QM - Quantum mechanics.HA - Hardware accelerated.
Y - Yes.
I - Has interface.
ee also
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Molecular mechanics — A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force… … Wikipedia
Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… … Wikipedia
Molecular design software — is software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs such as the molecular dynamics and quantum chemistry programs, such software directly… … Wikipedia
Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene … Wikipedia
Molecular modeling on GPU — Ionic liquid simulation on GPU (Ascalaph Designer) Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for molecular simulations. [1] In 2007, NVIDIA introduced video cards that could be used not only to show… … Wikipedia
Molecular model — A molecular model, in this article, is a physical model that represents molecules and their processes. The creation of mathematical models of molecular properties and behaviour is molecular modelling, and their graphical depiction is molecular… … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
Molecular Modelling Toolkit — MMTK Original author(s) Konrad Hinsen Initial release 4 January 2000 (2000 01 04) Stable release 2.7.4 / 28 April 2011; 6 months ago (2011 04 28) … Wikipedia
Docking (molecular) — Docking glossary • Receptor or host or lock – The receiving molecule, most commonly a protein or other biopolymer. • Ligand or guest or key – The complementary partner molecule which binds to the receptor. Ligands are most often small molecules… … Wikipedia
Monte Carlo molecular modeling — is the application of Monte Carlo methods to molecular problems. These problems can also be modeled by the molecular dynamics method. The difference is that this approach relies on statistical mechanics rather than molecular dynamics. Instead of… … Wikipedia
