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Maria Pechlaner
ORCID
Publication Activity (10 Years)
Years Active: 2015-2021
Publications (10 Years): 3
Top Topics
Scheduling Problem
Amino Acids
Coarse Grained
Molecular Dynamics
Top Venues
J. Comput. Chem.
J. Chem. Inf. Model.
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Publications
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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)