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Theoretical and Computational Chemistry

Working Paper

KiSSim: Predicting off-targets from structural similarities in the kinome

Dominique Sydow, Eva Aßmann, Albert J. Kooistra, Friedrich Rippmann, Andrea Volkamer

Version 1 posted 16 December 2021

460

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Biological and Medicinal Chemistry

Working Paper

Towards a RIOK2 Chemical Probe: Cellular Potency Improvement of a Selective 2-(Acylamino)pyridine Series

Christopher Wang, Álvaro Lorente-Macías, Carrow Wells, Julie E. Pickett, Alfredo Picado, William Zuercher, Alison Axtman

Version 1 posted 17 August 2020

209

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Theoretical and Computational Chemistry

Working Paper

Prediction of Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis

Ariane Nunes Alves, Fabian Ormersbach, Rebecca Wade, Ariane Nunes-Alves

Version 2 posted 04 June 2021

537

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Biological and Medicinal Chemistry

Working Paper

How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture

Linglan Fang, Jessica Vilas-Boas, sujata chakraborty, zachary potter, Ames Register, Markus Seeliger, Dustin J. Maly

Version 2 posted 23 April 2020

684

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Biological and Medicinal Chemistry

Working Paper

Leveraging molecular structure and bioactivity with chemical language models for drug design

Michael Moret, Francesca Grisoni, Cyrill Brunner, Gisbert Schneider

Version 1 posted 04 October 2021

1,078

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Organic Chemistry

Working Paper

SGC-CK2-1: The First Selective Chemical Probe for the Pleiotropic Kinase CK2

Carrow Wells, David Drewry, Julie E. Pickett, Alison D. Axtman

Version 2 posted 18 May 2020

857

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Biological and Medicinal Chemistry

Working Paper

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

Alfredo Picado, Apirat Chaikuad, Carrow Wells, Safal Shrestha, William Zuercher, Julie E. Pickett, Frank Kwarcinski, Parvathi Sinha, Chandi de Silva, Reena Zutshi, Shubin Liu, Natarajan Kannan, Stefan Knapp, David Drewry, Tim Willson

Version 1 posted 07 July 2020

799

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Biological and Medicinal Chemistry

Working Paper

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

benjamin eduful, Sean O'Byrne, Louisa Temme, Christopher R. M. Asquith, Yi Liang, Alfredo Picado, Joseph Pilotte, Carrow Wells, William Zuercher, Carolina Catta-Preta, Priscila Zonzini Ramos, André Santiago, rafael Counago, Christopher G Langendorf, Kevin Nay, Jonathan S Oakhill, Thomas L Pulliam, Chenchu Lin, Dominik Awad, Timothy M. Willson, Daniel E Frigo, John W. Scott, David Drewry

Version 1 posted 28 December 2020

427

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Biological and Medicinal Chemistry

Working Paper

Development of Potent and Selective PfCLK3 Inhibitors Based on GSK-TCMDC151 as a New Class of Antimalarials

Amit Mahindra, Omar Janha, Kopano Mapesa, Ana Sanchez-Azqueta, Mahmood M. Alam, Andrew Tobin, Andrew Jamieson

Version 1 posted 13 September 2019

775

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Biological and Medicinal Chemistry

Working Paper

How Reactive are Druggable Cysteines in Protein Kinases?

Ernest Awoonor-Williams, Christopher Rowley

Version 1 posted 10 October 2017

1,182

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Refine Search

25 results in Kinase in Keywords: Kinase

KiSSim: Predicting off-targets from structural similarities in the kinome

Towards a RIOK2 Chemical Probe: Cellular Potency Improvement of a Selective 2-(Acylamino)pyridine Series

Prediction of Drug-Target Binding Kinetics for Flexible Proteins by Comparative Binding Energy Analysis

How ATP-Competitive Inhibitors Allosterically Modulate Tyrosine Kinases That Contain a Src-like Regulatory Architecture

Leveraging molecular structure and bioactivity with chemical language models for drug design

SGC-CK2-1: The First Selective Chemical Probe for the Pleiotropic Kinase CK2

A Chemical Probe for Dark Kinase STK17B Derives its Potency and High Selectivity Through a Unique P-loop Conformation

Hinge Binder Scaffold Hopping Identifies Potent Calcium/Calmodulin-Dependent Protein Kinase Kinase 2 (CAMKK2) Inhibitor Chemotypes

Development of Potent and Selective PfCLK3 Inhibitors Based on GSK-TCMDC151 as a New Class of Antimalarials

How Reactive are Druggable Cysteines in Protein Kinases?

25 results in Keywords: Kinase