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Biological and Medicinal Chemistry

Working Paper

Probing the Substrate Promiscuity of Isopentenyl Phosphate Kinase as a Platform for Hemiterpene Analogue Production

Sean Lund, Taylor Courtney, Gavin Williams

Version 1 posted 26 February 2019

582

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Theoretical and Computational Chemistry

Working Paper

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

Dominique Sydow, Paula Schmiel, Jérémie Mortier, Andrea Volkamer

Version 1 posted 24 July 2020

968

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Theoretical and Computational Chemistry

Working Paper

Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide Complexes

Julian Melendez Delgado, Peter R. Nagy, Sameer Varma

Version 1 posted 21 September 2023

194

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Biological and Medicinal Chemistry

Working Paper

Guided docking as a data generation approach facilitates structure-based machine learning on kinases

Michael Backenköhler, Joschka Groß, Verena Wolf, Andrea Volkamer

Version 2 posted 12 April 2024

738

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Biological and Medicinal Chemistry

Working Paper

Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-Fluorinated Monosaccharides

Tessa Keenan, Fabio Parmeggiani, Julien Malassis, Clement Fontenelle, Jean-Baptiste Vendeville, Wendy Offen, Peter Both, kun huang, Andrea Marchesi, Alex Heyam, Carl Young, Simon J. Charnock, Gideon J. Davies, Bruno Linclau, Sabine Flitsch, Martin Fascione

Version 1 posted 09 March 2020

560

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Biological and Medicinal Chemistry

Working Paper

MM-PBSA and the Importance of the Dielectric Constant for Kinase Drug Design

Melanie Schneider, Gilles Labesse

Version 1 posted 09 December 2020

650

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1

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Biological and Medicinal Chemistry

Review

Structural elements that enable specificity for mutant EGFR kinase domains with next-generation small-molecule inhibitors.

Tahereh Damghani, Florian Wittlinger, Tyler S. Beyett, Michael J. Eck, Stefan A. Laufer, David E. Heppner

Version 1 posted 14 February 2023

551

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Theoretical and Computational Chemistry

Working Paper

Large-scale modelling of sparse kinase activity data

Sohvi Luukkonen, Erik Meijer, Giovanni Tricarico, Johan Hofmans, Pieter Stouten, Gerard van Westen, Eelke Lenselink

Version 1 posted 27 January 2023

360

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Organic Chemistry

Working Paper

Proteome selectivity profiling of photoaffinity probes derived from imidazopyrazine-kinase inhibitors

Dimitris Korovesis, Christel Merillat, Rita Derua, Steven Verhelst

Version 1 posted 21 June 2024

186

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Refine Search

9 results in kinases in Keywords: kinases

Probing the Substrate Promiscuity of Isopentenyl Phosphate Kinase as a Platform for Hemiterpene Analogue Production

KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination

Polarizable AMOEBA Model for Simulating Mg2+·Protein·Nucleotide Complexes

Guided docking as a data generation approach facilitates structure-based machine learning on kinases

Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-Fluorinated Monosaccharides

MM-PBSA and the Importance of the Dielectric Constant for Kinase Drug Design

Structural elements that enable specificity for mutant EGFR kinase domains with next-generation small-molecule inhibitors.

Large-scale modelling of sparse kinase activity data

Proteome selectivity profiling of photoaffinity probes derived from imidazopyrazine-kinase inhibitors

9 results in Keywords: kinases