Preferred Label : molecular dynamics;
Detailed label : molecular dynamics in drug design;
IUPAC definition : molecular dynamics is a simulation procedure consisting of the computation of the
motion of atoms in a molecule or of individual atoms or molecules in solids, liquids
and gases, according to Newton's laws of motion. The forces acting on the atoms, required
to simulate their motions, are generally calculated using molecular mechanics force
fields.;
Origin ID : MT06969;
Automatic exact mappings (from CISMeF team)
- See also
molecular dynamics is a simulation procedure consisting of the computation of the
motion of atoms in a molecule or of individual atoms or molecules in solids, liquids
and gases, according to Newton's laws of motion. The forces acting on the atoms, required
to simulate their motions, are generally calculated using molecular mechanics force
fields.
