Using the Maximum Entropy Principle to Combine Simulations and Solution Experiments
Molecular dynamics (MD) simulations allow the investigation of the structural dynamics of biomolecular systems with unrivaled time and space resolution. However, in order to compensate for the inaccuracies of the utilized empirical force fields, it is becoming common to integrate MD simulations with...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2018-02-01
|
| Series: | Computation |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2079-3197/6/1/15 |