[[
molecular_mechanics_-_it_is_simple
]]
Molecular Wiki
Trace:
•
molecular_mechanics_-_it_is_simple
Table of Contents
Molecular mechanics - it is simple
What can we simulate in this way?
Technology
This can be interestingly
Molecular mechanics - it is simple
The molecules consist of balls on springs
Atoms are soft balls
Atoms carry the electric charge
What can we simulate in this way?
Liquids
Water properties
Hydrocarbons
Polar solvents
Mixtures
Biomolecules
DNA
Proteins
Problem of protein folding
Lipids
Ligands
DNA interaction with a benzimidazole-containing ligands
Selection of linkers for the DNA-bindig ligand
All together
Protein in the lipid bilayer
Tips and tricks
Technology
Soft
Abalone
MDynaMix
Hard
Processors
Clusters
GPU
This can be interestingly
Articles
Sites
molecular_mechanics_-_it_is_simple.txt · Last modified: 2014/01/25 04:45 (external edit)
Except where otherwise noted, content on this wiki is licensed under the following license:
CC Attribution-Share Alike 3.0 Unported
