Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed...

Visual Molecular Dynamics (VMD) is a molecular modelling and visualization computer program. VMD is developed mainly as a tool to view and analyze the...

Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics (also known as the Car–Parrinello method) or the computational...

fluid dynamics using numerical methods Fractional dynamics, dynamics with integrations and differentiations of fractional orders Molecular dynamics, the...

chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through...

modeling on GPUs Monte Carlo molecular modeling Car–Parrinello molecular dynamics Protein dynamics Scientific computing Statistical mechanics Solvent models...

In physics, Langevin dynamics is an approach to the mathematical modeling of the dynamics of molecular systems. It was originally developed by French...

used for molecular mechanics calculations. GPU – GPU accelerated I – Has interface Imp – Implicit water MC – Monte Carlo MD – Molecular dynamics Min – Optimization...

stability, protein-protein and protein-ligand interactions, docking and molecular dynamics analyses, and so on. Traditionally, computational methods have used...

motion (classical or quantum) of the constituent molecules. Classical molecular dynamics (MD) simulates liquids using Newton's law of motion; from Newton's...