The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems methodology and applications

von Hendrickx, Pieter M S
Veröffentlicht in: Journal of computational chemistry (2010)

A hydration study of (1-->4) and (1-->6) linked alpha-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR

von Corzana, Francisco
Veröffentlicht in: Journal of computational chemistry (2004)