Publications by authors named "Matthias Diem"

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Insights into the Binding Mode of Lipid A to the Anti-lipopolysaccharide Factor ALFPm3 from : An In Silico Study through MD Simulations.
Cristina González-Fernández, Christoph Öhlknecht, Matthias Diem, Yerko Escalona, Eugenio Bringas

J Chem Inf Model· April 2023

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The effect of different cutoff schemes in molecular simulations of proteins.
Matthias Diem, Chris Oostenbrink

J Comput Chem· December 2020

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The Effect of Using a Twin-Range Cutoff Scheme for Nonbonded Interactions: Implications for Force-Field Parametrization?
Matthias Diem, Chris Oostenbrink

J Chem Theory Comput· October 2020

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Molecular Dynamics and Quantification of Safrole DNA Adducts Reveal DNA Adduct Persistence Due to Limited DNA Distortion Resulting in Inefficient Repair.
Shuo Yang, Jakob D H Liu, Matthias Diem, Sebastiaan Wesseling, Jacques Vervoort

Chem Res Toxicol· September 2020

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Cellular levels and molecular dynamics simulations of estragole DNA adducts point at inefficient repair resulting from limited distortion of the double-stranded DNA helix.
Shuo Yang, Matthias Diem, Jakob D H Liu, Sebastiaan Wesseling, Jacques Vervoort

Arch Toxicol· April 2020

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Hamiltonian Reweighing To Refine Protein Backbone Dihedral Angle Parameters in the GROMOS Force Field.
Matthias Diem, Chris Oostenbrink

J Chem Inf Model· January 2020

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Germinality does not necessarily define mAb expression and thermal stability.
Linda Schwaigerlehner, Patrick Mayrhofer, Matthias Diem, Willibald Steinfellner, Emma Fenech

Appl Microbiol Biotechnol· September 2019

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Structural Aspects of the O-glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR Experiments.
Aysegül Turupcu, Matthias Diem, Lorna J Smith, Chris Oostenbrink

Chemphyschem· June 2019

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The Impact of Using Single Atomistic Long-Range Cutoff Schemes with the GROMOS 54A7 Force Field.
Tomás F D Silva, Diogo Vila-Viçosa, Pedro B P S Reis, Bruno L Victor, Matthias Diem

J Chem Theory Comput· November 2018

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