- molecular force field calculations
- Макаров: расчёты молекулярного силового поля
Универсальный англо-русский словарь. Академик.ру. 2011.
molecular force field calculations
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Merck Molecular Force Field — (MMFF) is a family of force fields developed by Merck Research Laboratories. They are based on the MM3 force field. MMFF is not optimized for a single use (like simulating proteins or small molecules), but tries to perform well for a wide range… … Wikipedia
Force field (chemistry) — In the context of molecular mechanics, a force field (also called a forcefield) refers to the functional form and parameter sets used to describe the potential energy of a system of particles (typically but not necessarily atoms). Force field… … 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 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 modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia
Molecular nanotechnology — Part of a series of articles on Molecular Nanotechnology … 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
Champ de force (chimie) — Pour les articles homonymes, voir champ de force. Un champ de force peut par exemple être utilisé afin de minimiser l énergie d étirement de cette molécule d éthane. Dans le cadre de la m … Wikipédia en Français
Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… … Wikipedia
Molecular scale electronics — Part of a series of articles on Nanoelectronics Single molecule electronics … Wikipedia
