Transformation between α-helix and β-sheet structures of one and two polyglutamine peptides in explicit water molecules by replica-exchange molecular dynamics simulations

von Chiang, Hsin-Lin
Veröffentlicht in: Journal of computational chemistry (2014)

A spherical harmonic transform spectral analysis of a localized surface plasmon on a gold nano shell

von Berco, Dan
Veröffentlicht in: Journal of computational chemistry (2014)

Enveloping triangulation method for detecting internal cavities in proteins and algorithm for computing their surface areas and volumes

von Busa, Ján
Veröffentlicht in: Journal of computational chemistry (2009)

Efficient combination of Wang-Landau and transition matrix Monte Carlo methods for protein simulations

von Ghulghazaryan, Ruben G
Veröffentlicht in: Journal of computational chemistry (2007)

A new analytical method for computing solvent-accessible surface area of macromolecules and its gradients

von Hayryan, Shura
Veröffentlicht in: Journal of computational chemistry (2005)