Maria Pechlaner

Publication Activity (10 Years)

Years Active: 2015-2024
Publications (10 Years): 3

Top Topics

Molecular Structure

Molecular Dynamics

Degrees Of Freedom

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Maria Pechlaner, Wilfred F. van Gunsteren, Lorna J. Smith, Bartosz Stankiewicz, Lukas N. Wirz, Niels Hansen
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. J. Chem. Inf. Model. 64 (12) (2024)
Maria Pechlaner, Andreas P. Dorta, Zhixiong Lin, Victor H. Rusu, Wilfred F. van Gunsteren
A method to apply bond-angle constraints in molecular dynamics simulations. J. Comput. Chem. 42 (6) (2021)
Maria Pechlaner, Chris Oostenbrink, Wilfred F. van Gunsteren
On the use of multiple-time-step algorithms to save computing effort in molecular dynamics simulations of proteins. J. Comput. Chem. 42 (18) (2021)
Maria Pechlaner, Chris Oostenbrink
Multiple Binding Poses in the Hydrophobic Cavity of Bee Odorant Binding Protein AmelOBP14. J. Chem. Inf. Model. 55 (12) (2015)