1. Model frame
Molecular dynamics simulations are carried out on an isolated macromolecule or macromolecular complex. On a scale of a few nanometers, a solution or solid is represented by the set of coordinates of its component atoms, so that the trajectories of these coordinates over time can be simulated using a computer. Molecular dynamics simulation methods were developed in theoretical liquid physics in the 1980s
One of the aims of molecular modeling is to compare the energies of the conformers of a molecule. The most rigorous...
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
Model frame
Calculating a molecular dynamics trajectory
Article included in this offer
"Physics and chemistry"
(
203 articles
)
Updated and enriched with articles validated by our scientific committees
A set of exclusive tools to complement the resources
Bibliography
References
Exclusive to subscribers. 97% yet to be discovered!
Already subscribed? Log in!
