molecular mechanics
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molecular mechanics — Molecular Mechanics Молекулярная механика Один из подходов в молекулярном моделировании, использующий классическую механику для описания физических основ модели. Атомы (ядра с электронами) представляются точечными массами с соответствующими… … Толковый англо-русский словарь по нанотехнологии. - М.
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
Software for molecular mechanics modeling — 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 alsoQuantum chemistry computer programs … 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 motor — Molecular motors are biological molecular machines that are the essential agents of movement in living organisms. Generally speaking, a motor may be defined as a device that consumes energy in one form and converts it into motion or mechanical… … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
Molecular geometry — Geometry of the water molecule Molecular geometry or molecular structure is the three dimensional arrangement of the atoms that constitute a molecule. It determines several properties of a substance including its reactivity, polarity, phase of… … 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
