Conformational and entropy analyses of extended molecular dynamics simulations of α-, β- and γ-cyclodextrins and of the β-cyclodextrin/nabumetone complex

Dimas Suárez, Natalia Díaz
January 2017
Source Document DOI

Abstract

The conformational entropies of cyclodextrins and of the β-CD/nabumetone complex are assessed by means of extensive MD simulations.

Type
Journal article
Publication
Physical Chemistry Chemical Physics