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Theoretical and Computational Chemistry

Working Paper

Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations

Benjamin Ries, Irfan Alibay, David W H Swenson, Hannah M Baumann, Michael M Henry, James RB Eastwood, Richard J Gowers

Version 1 posted 31 October 2023

666

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Physical Chemistry

Working Paper

Giving the green light to photochemical uncaging of large biomolecules in high vacuum

Yong Hua, Marcel Strauss, Sergey Fisher, Martin F. X. Mauser, Pierre Manchet, Martina Smacchia, Philipp Geyer, Armin Shayeghi, Michael Pfeffer, Tim Henri Eggenweiler, Steven Daly, Jan Commandeur, Marcel Mayor, Markus Arndt, Tomáš Šolomek, Valentin Köhler

Version 1 posted 26 June 2023

238

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1

Citations

Theoretical and Computational Chemistry

Working Paper

CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space

Christina Humer, Rachel Nicholls, Henry Heberle, Moritz Heckmann, Michael Pühringer, Thomas Wolf, Maximilian Lübbesmeyer, Julian Heinrich, Julius Hillenbrand, Giulio Volpin, Marc Streit

Version 1 posted 22 December 2023

271

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Chemical Engineering and Industrial Chemistry

Working Paper

Decarbonizing Specialty Chemical Manufacturing: Opportunities for Electrochemists

Robert Hacku, Thomas Henry, Michael Kane, Maxwell Vance, Zachary Sebastian, Glenn Cormack, Tyler Petek, Elisa Seddon, James McKone

Version 1 posted 11 July 2024

151

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Organic Chemistry

Working Paper

Diastereoselective β-Hydroxy Vinylsulfone Isomerizations

Gregory O'Neil, Trevor Clark, D. Michael Carnahan, Henry Crockett, Calvin Wallace, Adam Jones

Version 1 posted 05 February 2024

221

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Physical Chemistry

Working Paper

Konnektor: A framework for using graph theory to plan networks for free energy calculations

Benjamin Ries, Richard J Gowers, James RB Eastwood, Irfan Alibay, Hannah M Baumann, David WH Swenson, Michael M Henry, David Mobley

Version 1 posted 12 September 2024

294

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Inorganic Chemistry

Working Paper

Cooperative Adsorption of Carbon Disulfide in Diamine-Appended Metal– Organic Frameworks

C. Michael McGuirk, Rebecca L. Siegelman, Walter S. Drisdell, Tomče Runčevski, Phillip J. Milner, Julia Oktawiec, Liwen F. Wan, Gregory M. Su, Henry Z. H. Jiang, Douglas A. Reed, Miguel I. Gonzalez, David Prendergast, Jeffrey R. Long

Version 1 posted 20 September 2018

648

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Inorganic Chemistry

Working Paper

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Jesse Park, Brianna Collins, Lucy Darago, Tomce Runcevski, Michael Aubrey, Henry Z. H. Jiang, Ever Velasquez, Mark Green, Jason Goodpaster, Jeffrey R. Long

Version 2 posted 28 May 2020

1,011

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Analytical Chemistry

Working Paper

Quantification of capture efficiency, purity, and single-cell isolation in the recovery of circulating melanoma cells from peripheral blood by dielectrophoresis

Han Chen, Sommer Osman, Devon Moose, Marion Vanneste, Jared Anderson, Michael Henry, Robbyn Anand

Version 1 posted 07 February 2023

131

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Catalysis

Working Paper

Rational Enzyme Design Without Structural Knowledge: A Sequence-Based Approach for Efficient Generation of Glycosylation Catalysts

David Teze, Zhao, Jiao, Mathias Wiemann, Zubaida Gulshan Kazi, Rossana Lupo, Mette Errebo Rønne, Göran Carlström, Jens Øllgaard Duus, Yves-Henri Sanejouand, Michael J. O’Donohue, Eva Nordberg Karlsson, Régis Fauré, Henrik Stålbrand, Birte Svensson

Version 2 posted 24 March 2020

1,444

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Refine Search

17 results in Michael Henry in Authors: Michael Henry

Kartograf: An Accurate Geometry-Based Atom Mapper for Hybrid Topology Relative Free Energy Calculations

Giving the green light to photochemical uncaging of large biomolecules in high vacuum

CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space

Decarbonizing Specialty Chemical Manufacturing: Opportunities for Electrochemists

Diastereoselective β-Hydroxy Vinylsulfone Isomerizations

Konnektor: A framework for using graph theory to plan networks for free energy calculations

Cooperative Adsorption of Carbon Disulfide in Diamine-Appended Metal– Organic Frameworks

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Quantification of capture efficiency, purity, and single-cell isolation in the recovery of circulating melanoma cells from peripheral blood by dielectrophoresis

Rational Enzyme Design Without Structural Knowledge: A Sequence-Based Approach for Efficient Generation of Glycosylation Catalysts

17 results in Authors: Michael Henry