Bernd Ensing (B Ensing)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 22

Top Topics

Aqueous Solution

Mass Spectrometry

Electron Transfer

Top Venues

The journal of physical chemistry. B

Journal of cheminformatics

Inorganic chemistry

The Journal of chemical physics

This page only lists publications with an associated author ORCID identifier.

Publications

Murat Kılıç, Bernd Ensing
Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation. The journal of physical chemistry. B (2024)
Murat Kılıç, Bernd Ensing
Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation. The journal of physical chemistry. B 128 (13) (2024)
Murat Kılıç, Bernd Ensing
Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation. The journal of physical chemistry. B 128 (13) (2024)
Jim Boelrijk, Denice van Herwerden, Bernd Ensing, Patrick Forré, Saer Samanipour
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of cheminformatics 15 (1) (2023)
Jim Boelrijk, Denice van Herwerden, Bernd Ensing, Patrick Forré, Saer Samanipour
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of cheminformatics 15 (1) (2023)
Jim Boelrijk, Denice van Herwerden, Bernd Ensing, Patrick Forré, Saer Samanipour
Predicting RP-LC retention indices of structurally unknown chemicals from mass spectrometry data. Journal of cheminformatics 15 (1) (2023)
Rakesh C Puthenkalathil, Bernd Ensing
Fast Proton Transport in FeFe Hydrogenase via a Flexible Channel and a Proton Hole Mechanism. The journal of physical chemistry. B 126 (2) (2022)
Tijmen S Bos, Jim Boelrijk, Stef R A Molenaar, Brian van 't Veer, Leon E Niezen, Denice van Herwerden, Saer Samanipour, Dwight R Stoll, Patrick Forré, Bernd Ensing, Govert W Somsen, Bob W J Pirok
Chemometric Strategies for Fully Automated Interpretive Method Development in Liquid Chromatography. Analytical chemistry 94 (46) (2022)
Alberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing
Sequence dependence of transient Hoogsteen base pairing in DNA. PLoS computational biology 18 (5) (2022)
Rakesh C Puthenkalathil, Bernd Ensing
Linear Scaling Relationships to Predict p K a 's and Reduction Potentials for Bioinspired Hydrogenase Catalysis. Inorganic chemistry 61 (1) (2021)
Maria-Andrea Mroginski, Suliman Adam, Gil S Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A Borin, Jonathan Richard Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba, Laura Pedraza-González, Ronald González, Cristina E González-Espinoza, Rajiv Kumar Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander V Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Pérez de Alba Ortíz, Elisa Pieri, Aditya G Rao, Young Min Rhee, Niccolò Ricardi, Saumik Sen, Ilia A Solov'yov, Luca De Vico, Tomasz Adam Wesołowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and photobiology 97 (2) (2021)
Ferry Hooft, Alberto Pérez de Alba Ortíz, Bernd Ensing
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural Networks. Journal of chemical theory and computation 17 (4) (2021)
Oleksandr O Sofronov, Giulia Giubertoni, Alberto Pérez de Alba Ortíz, Bernd Ensing, Huib J Bakker
Peptide Side-COOH Groups Have Two Distinct Conformations under Biorelevant Conditions. The journal of physical chemistry letters 11 (9) (2020)
A Tiwari, C Honingh, Bernd Ensing
Accurate calculation of zero point energy from molecular dynamics simulations of liquids and their mixtures. The Journal of chemical physics 151 (24) (2020)
Mojgan Heshmat, Bernd Ensing
Optimizing the Energetics of FLP-Type H2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT Study. The journal of physical chemistry. A 124 (32) (2020)
Rakesh C Puthenkalathil, Mihajlo Etinski, Bernd Ensing
Unraveling the mechanism of biomimetic hydrogen fuel production - a first principles molecular dynamics study. Physical chemistry chemical physics : PCCP 22 (19) (2020)
Bernd Ensing, Ambuj Tiwari, Martijn Tros, Johannes Hunger, Sérgio R Domingos, Cristóbal Pérez, Gertien Jacoba Smits, Mischa Bonn, Daniel Bonn, Sander Woutersen
On the origin of the extremely different solubilities of polyethers in water. Nature communications 10 (1) (2019)
Murat Kılıç, Bernd Ensing
Microscopic Picture of the Solvent Reorganization During Electron Transfer to Flavin in Water. The journal of physical chemistry. B 123 (46) (2019)
Mihajlo Etinski, Bernd Ensing
Puzzle of the Intramolecular Hydrogen Bond of Dibenzoylmethane Resolved by Molecular Dynamics Simulations. The journal of physical chemistry. A 122 (28) (2018)
Alberto Pérez de Alba Ortíz, A Tiwari, R C Puthenkalathil, Bernd Ensing
Advances in enhanced sampling along adaptive paths of collective variables. The Journal of chemical physics 149 (7) (2018)
Sander Woutersen, Bernd Ensing, Michiel F Hilbers, Zuofeng Zhao, C Austen Angell
A liquid-liquid transition in supercooled aqueous solution related to the HDA-LDA transition. Science (New York, N.Y.) 359 (6380) (2018)
Nitish Govindarajan, Ambuj Tiwari, Bernd Ensing, Evert Jan Meijer
Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst. Inorganic chemistry 57 (21) (2018)