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Bernd Ensing

Showing results (21-30 of 66) with videos related to

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Physical Review Letters|January 15, 2011
Adaptive multiscale molecular dynamics of macromolecular fluidsSteven O Nielsen, Preston B Moore, Bernd Ensing
Angewandte Chemie (International Ed. in English)|May 2, 2018
Chemical Involvement of Solvent Water Molecules in Elementary Steps of the Fenton Oxidation ReactionBernd Ensing, Francesco Buda, Peter Blöchl, et al.
Inorganic Chemistry|May 8, 2018
Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation CatalystNitish Govindarajan, Ambuj Tiwari, Bernd Ensing, et al.
Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
The Adaptive Path Collective Variable: A Versatile Biasing Approach to Compute the Average Transition Path and Free Energy of Molecular TransitionsAlberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing
Angewandte Chemie (International Ed. in English)|August 14, 2001
Chemical Involvement of Solvent Water Molecules in Elementary Steps of the Fenton Oxidation Reaction We gratefully acknowledge the helpful discussions with Michiel Gribnau (Unilever-Vlaardingen) and we thank the Netherlands Organization for Scientific Research (NWO) for support through the PPM-CMS program and the NCF for providing computer timeBernd Ensing, Francesco Buda, Peter Blöchl, et al.
The Journal of Physical Chemistry. B|July 21, 2006
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactionsBernd Ensing, Alessandro Laio, Michele Parrinello, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Toward a Practical Method for Adaptive QM/MM SimulationsRosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
Plos Computational Biology|May 26, 2022
Sequence dependence of transient Hoogsteen base pairing in DNAAlberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing
Journal of Chemical Theory and Computation|March 4, 2021
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural NetworksFerry Hooft, Alberto Pérez de Alba Ortíz, Bernd Ensing
The Journal of Chemical Physics|June 16, 2014
Comment on "Communication: Benzene dimer--the free energy landscape" [J. Chem. Phys. 139, 201102 (2013)]Ad van der Avoird, Rafał Podeszwa, Bernd Ensing, et al.
Pageof 7

Showing results (21-30 of 66) with videos related to

Sort By:
Pageof 7
Physical Review Letters|January 15, 2011
Adaptive multiscale molecular dynamics of macromolecular fluidsSteven O Nielsen, Preston B Moore, Bernd Ensing
Angewandte Chemie (International Ed. in English)|May 2, 2018
Chemical Involvement of Solvent Water Molecules in Elementary Steps of the Fenton Oxidation ReactionBernd Ensing, Francesco Buda, Peter Blöchl, et al.
Inorganic Chemistry|May 8, 2018
Impact of the Ligand Flexibility and Solvent on the O-O Bond Formation Step in a Highly Active Ruthenium Water Oxidation CatalystNitish Govindarajan, Ambuj Tiwari, Bernd Ensing, et al.
Methods in Molecular Biology (Clifton, N.J.)|August 10, 2019
The Adaptive Path Collective Variable: A Versatile Biasing Approach to Compute the Average Transition Path and Free Energy of Molecular TransitionsAlberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing
Angewandte Chemie (International Ed. in English)|August 14, 2001
Chemical Involvement of Solvent Water Molecules in Elementary Steps of the Fenton Oxidation Reaction We gratefully acknowledge the helpful discussions with Michiel Gribnau (Unilever-Vlaardingen) and we thank the Netherlands Organization for Scientific Research (NWO) for support through the PPM-CMS program and the NCF for providing computer timeBernd Ensing, Francesco Buda, Peter Blöchl, et al.
The Journal of Physical Chemistry. B|July 21, 2006
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactionsBernd Ensing, Alessandro Laio, Michele Parrinello, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Toward a Practical Method for Adaptive QM/MM SimulationsRosa E Bulo, Bernd Ensing, Jetze Sikkema, et al.
Plos Computational Biology|May 26, 2022
Sequence dependence of transient Hoogsteen base pairing in DNAAlberto Pérez de Alba Ortíz, Jocelyne Vreede, Bernd Ensing
Journal of Chemical Theory and Computation|March 4, 2021
Discovering Collective Variables of Molecular Transitions via Genetic Algorithms and Neural NetworksFerry Hooft, Alberto Pérez de Alba Ortíz, Bernd Ensing
The Journal of Chemical Physics|June 16, 2014
Comment on "Communication: Benzene dimer--the free energy landscape" [J. Chem. Phys. 139, 201102 (2013)]Ad van der Avoird, Rafał Podeszwa, Bernd Ensing, et al.
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