Nalaganje...

Theoretical calculation of relative binding affinity in host-guest systems.

The relative free energy of binding the anions Cl- and Br- to the macrotricyclic receptor SC24 in water has been computed by a computer simulation technique. This result and an incidental result for the relative free energy of hydration of the anions are in excellent agreement with experimental data...

Popoln opis

Shranjeno v:
Bibliografske podrobnosti
Main Authors: Lybrand, T P, McCammon, J A, Wipff, G
Format: Artigo
Jezik:Inglês
Izdano: 1986
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC322963/
https://ncbi.nlm.nih.gov/pubmed/3456569
Oznake: Označite
Brez oznak, prvi označite!