Publications by authors named "Michael E Beck"

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Comparative assessment of physics-based in silico methods to calculate relative solubilities.
Adiran Garaizar Suarez, Andreas H Göller, Michael E Beck, Sadra Kashef Ol Gheta, Katharina Meier

J Comput Aided Mol Des· October 2024

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A Variational Ansatz for Taylorized Imaginary Time Evolution.
Matthias Koch, Oliver Schaudt, Georg Mogk, Thomas Mrziglod, Helmut Berg, Michael Edmund Beck

ACS Omega· June 2023

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Addressing the Osimertinib Resistance Mutation EGFR-L858R/C797S with Reversible Aminopyrimidines.
Tobias Grabe, Kirujan Jeyakumar, Janina Niggenaber, Tom Schulz, Sandra Koska, Michael Edmund Beck

ACS Med Chem Lett· May 2023

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A conserved hymenopteran-specific family of cytochrome P450s protects bee pollinators from toxic nectar alkaloids.
Julian Haas, Elena Beck, Bartlomiej J Troczka, Angela Hayward, Gillian Hertlein, Michael E Beck

Sci Adv· April 2023

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A binding mode hypothesis for prothioconazole binding to CYP51 derived from first principles quantum chemistry.
Michael Edmund Beck, Jacopo Negroni, Svend Matthiesen, Michael Kohnen, Christoph Riplinger

J Comput Aided Mol Des· April 2021

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Unraveling individual host-guest interactions in molecular recognition from first principles quantum mechanics: Insights into the nature of nicotinic acetylcholine receptor agonist binding.
Michael Edmund Beck, Christoph Riplinger, Frank Neese, Giovanni Bistoni

J Comput Chem· February 2021

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An Unusual Intramolecular Halogen Bond Guides Conformational Selection.
Roberta Tesch, Christian Becker, Matthias Philipp Müller, Michael Edmund Beck, Lena Quambusch

Angew Chem Int Ed Engl· July 2018

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Insight into the Binding Mode of Agonists of the Nicotinic Acetylcholine Receptor from Calculated Electron Densities.
Michael E Beck, Oliver Gutbrod, Svend Matthiesen

Chemphyschem· September 2015

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Flupyradifurone: a brief profile of a new butenolide insecticide.
Ralf Nauen, Peter Jeschke, Robert Velten, Michael E Beck, Ulrich Ebbinghaus-Kintscher

Pest Manag Sci· June 2015

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Flupyradifurone (Sivanto™) and its novel butenolide pharmacophore: Structural considerations.
Peter Jeschke, Ralf Nauen, Oliver Gutbrod, Michael E Beck, Svend Matthiesen

Pestic Biochem Physiol· June 2015

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Nicotinic acetylcholine receptor agonists: a milestone for modern crop protection.
Peter Jeschke, Ralf Nauen, Michael Edmund Beck

Angew Chem Int Ed Engl· September 2013

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Targeting GSK3 from Ustilago maydis: type-II kinase inhibitors as potential antifungals.
Christian Grütter, Jeffrey R Simard, Svenja C Mayer-Wrangowski, Peter H Schreier, José Pérez-Martín, Michael E Beck

ACS Chem Biol· July 2012

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Identification of Ustilago maydis Aurora kinase as a novel antifungal target.
Sandra Tückmantel, Jörg N Greul, Petra Janning, Andreas Brockmeyer, Christian Grütter, Michael E Beck

ACS Chem Biol· September 2011

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Disulfonimide-catalyzed asymmetric vinylogous and bisvinylogous Mukaiyama aldol reactions.
Lars Ratjen, Pilar García-García, Frank Lay, Michael Edmund Beck, Benjamin List

Angew Chem Int Ed Engl· January 2011

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Do Fukui function maxima relate to sites of metabolism? A critical case study.
Michael E Beck

J Chem Inf Model· June 2006

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First Principles Calculations of Aqueous pKa Values for Organic and Inorganic Acids Using COSMO-RS Reveal an Inconsistency in the Slope of the pKa Scale.
Andreas Klamt, Frank Eckert, Michael Diedenhofen, Michael E Beck

J Phys Chem A· November 2003

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Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach.
Axel Koslowski, Michael E Beck, Walter Thiel

J Comput Chem· April 2003

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Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.
Andreas Klamt, Frank Eckert, Martin Hornig, Michael E Beck, Thorsten Bürger

J Comput Chem· January 2002

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