Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14. - Maria Pechlaner; Chris Oostenbrink (J. Chem. Inf. Model., 2015)

A method to apply bond-angle constraints in molecular dynamics simulations. - Maria Pechlaner; Andreas P. Dorta; Zhixiong Lin; Victor H. Rusu; Wilfred F. van Gunsteren (J. Comput. Chem., 2021)

On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins. - Maria Pechlaner; Chris Oostenbrink; Wilfred F. van Gunsteren (J. Comput. Chem., 2021)

Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. - Maria Pechlaner; Wilfred F. van Gunsteren; Lorna J. Smith; Bartosz Stankiewicz; Lukas N. Wirz; Niels Hansen (J. Chem. Inf. Model., 2024)

Correction to "Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach". - Maria Pechlaner; Wilfred F. van Gunsteren; Lorna J. Smith; Bartosz Stankiewicz; Lukas N. Wirz; Niels Hansen (J. Chem. Inf. Model., 2025)