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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Fragment-based drug design (FBDD)

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4 results in Keywords: Fragment-based drug design (FBDD)

Theoretical and Computational Chemistry

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

900

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Biological and Medicinal Chemistry

Rapid Elaboration of Fragments into Leads Applied to Bromodomain-3 Extra Terminal Domain

Luke Adams, Lorna E. Wilkinson-White, Menachem J. Gunzburg, Stephen J. Headey, Martin J. Scanlon, Ben Capuano, Joel P. Mackay, Bradley Doak

Version 1 posted 25 March 2020

726

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Biological and Medicinal Chemistry

CAVIAR: a method for automatic cavity detection, description and decomposition into subcavities

Jean-Rémy Marchand, Bernard Pirard, Peter Ertl, Finton Sirockin

Version 3 posted 10 May 2021

1,135

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Biological and Medicinal Chemistry

Fragment-Based Design of Mycobacterium Tuberculosis InhA Inhibitors

Mohamad Sabbah, Vitor Mendes, Robert G. Vistal, David M. G. Dias, Monika Záhorszká, Katarina Mikušová, Jana Korduláková, Anthony Coyne, Tom. L. Blundell, Chris Abell

Version 2 posted 02 January 2020

721

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