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Bernd Ensing

18PUBLICATIONS

122CO-AUTHORS

Statistical mechanics in chemistrySemi- and unsupervised learningFree radical chemistryAnalytical spectrometryNatural language processing

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Publications (18)

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|Oct 08, 2025

Simultaneous sampling of multiple transition channels using adaptive paths of collective variables.

Alberto Pérez de Alba Ortíz, Bernd Ensing

|Mar 04, 2025

PLUMED Tutorials: A collaborative, community-driven learning ecosystem.

Gareth A Tribello, Massimiliano Bonomi, Giovanni Bussi

|Mar 22, 2024

Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation.

Murat Kılıç, Bernd Ensing

|Feb 24, 2023

Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data.

Jim Boelrijk, Denice van Herwerden, Bernd Ensing

|Nov 01, 2022

Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography.

Tijmen S Bos, Jim Boelrijk, Stef R A Molenaar

|May 26, 2022

Sequence dependence of transient Hoogsteen base pairing in DNA.

Alberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing

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Frequent Collaborators

4 joint publications

Alberto Pérez de Alba Ortíz

2 joint publications

Sander Woutersen

2 joint publications

Denice van Herwerden

2 joint publications

Rakesh C Puthenkalathil

2 joint publications

Mihajlo Etinski

2 joint publications

Saer Samanipour

2 joint publications

Murat Kılıç

1 joint publications

Michiel Hilbers

1 joint publications

Jiangbo Wu

1 joint publications

Nitish Govindarajan

Frequent Collaborators

4 joint publications

Alberto Pérez de Alba Ortíz

2 joint publications

Sander Woutersen

2 joint publications

Denice van Herwerden

2 joint publications

Rakesh C Puthenkalathil

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