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

par Berco, Dan
Publié dans: Journal of computational chemistry (2014)

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

par Chiang, Hsin-Lin
Publié dans: Journal of computational chemistry (2014)

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

par Busa, Ján
Publié dans: Journal of computational chemistry (2009)

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

par Ghulghazaryan, Ruben G
Publié dans: Journal of computational chemistry (2007)

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

par Hayryan, Shura
Publié dans: Journal of computational chemistry (2005)