molecular dynamics
1Molecular 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… …
2Visual Molecular Dynamics — Infobox Software name = VMD caption = Screenshot of VMD 1.8.3. developer = University of Illinois at Urbana Champaign latest release version = 1.8.6 latest release date = April 7, 2007 operating system = Mac OS X, Unix, Windows genre = Molecular… …
3Car-Parrinello Molecular Dynamics — The Carr Parrinello Molecular Dynamics, better known as CPMD, is a package for performing ab initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. This code is a parallelized implementation of… …
4Car–Parrinello Molecular Dynamics — Car Parrinello Molecular Dynamics или сокращённо CPMD  метод расчета ab initio квантово механической молекулярной динамики. В отличие от классической молекулярной динамики CPMD позволяет включать в расчет взаимодействия электронов в расчетах …
5Molecular 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… …
6Dynamics — (from Greek δυναμικός dynamikos powerful , from δύναμις dynamis power ) may refer to: Contents 1 Physics and engineering 2 Sociology and psychology 3 Computer science and mathematics …
7Molecular 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 …
8Molecular Physics (journal) —   Abbreviated title (ISO) Mol. Phys. Discipline …
9Molecular models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M …
10Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li …
