Assessing equilibration and convergence in biomolecular simulations. by Smith, L, Daura, X, van Gunsteren, W

Validation of the GROMOS force-field parameter set 45Alpha3 against nuclear magnetic resonance data of hen egg lysozyme. by Soares, T, Daura, X, Oostenbrink, C, Smith, L, van Gunsteren, W

Validation of molecular simulation: an overview of issues by van Gunsteren, W, Daura, X, Hansen, N, Mark, A, Oostenbrink, C, Riniker, S, Smith, L

Deriving structural information from experimentally measured data on biomolecules: a review by Smith, L, van Gunsteren, W, Allison, J, Daura, X, Dolenc, J, Hansen, N, Mark, A, Oostenbrink, C, Rusu, V