A novel method for calculating relative free energy of similar molecules in two environments (Q1687092)
From MaRDI portal
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A novel method for calculating relative free energy of similar molecules in two environments |
scientific article |
Statements
A novel method for calculating relative free energy of similar molecules in two environments (English)
0 references
19 December 2017
0 references
free energy
0 references
decoupling partition functions
0 references
monotonicity of free energy derivative
0 references
replica exchange
0 references
molecular dynamics
0 references
