Maria Pechlaner

According to our database, Maria Pechlaner authored at least 4 papers between 2015 and 2024.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of four.

2024

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

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

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

2015

Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14.

Maria Pechlaner, Chris Oostenbrink

J. Chem. Inf. Model., 2015