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

por Pechlaner, Maria, Oostenbrink, Chris
Publicado 2015

On the use of intra‐molecular distance and angle constraints to lengthen the time step in molecular and stochastic dynamics simulations of proteins

por Pechlaner, Maria, van Gunsteren, Wilfred F.
Publicado 2021

On the use of multiple‐time‐step algorithms to save computing effort in molecular dynamics simulations of proteins

por Pechlaner, Maria, Oostenbrink, Chris, van Gunsteren, Wilfred F.
Publicado 2021

Saturation Mutagenesis by Efficient Free-Energy Calculation

por Jandova, Zuzana, Fast, Daniel, Setz, Martina, Pechlaner, Maria, Oostenbrink, Chris
Publicado 2017

Molecular dynamics simulation or structure refinement of proteins: are solvent molecules required? A case study using hen lysozyme

por Pechlaner, Maria, van Gunsteren, Wilfred F., Hansen, Niels, Smith, Lorna J.
Publicado 2022

The structural stabilization of the κ three-way junction by Mg(II) represents the first step in the folding of a group II intron

por Donghi, Daniela, Pechlaner, Maria, Finazzo, Cinzia, Knobloch, Bernd, Sigel, Roland K. O.
Publicado 2013