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FRAGments training NETwork

Deliverables

Output

Output. Abstracts for international conferences and publications submitted; Publications submitted to appropriate open access journals. Website and social media presence built, maintained and operated. Press releases submitted. Appropriate reporting and production of content delivered on time and in full. Overall report presented during last workshop [42].

FragNet website

FragNet website. FragNet website built and online

Open meetings organised

Open meetings organised. Including workshop 6 in Basel [42].

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Publications

Current perspectives in fragment-based lead discovery (FBLD)

Author(s): Bas Lamoree, Roderick E. Hubbard
Published in: Essays In Biochemistry, 61/5, 2017, Page(s) 453-464, ISSN 0071-1365
Publisher: Portland Press, Ltd.
DOI: 10.1042/EBC20170028

Using Fragment-Based Approaches to Discover New Antibiotics

Author(s): Bas Lamoree, Roderick E. Hubbard
Published in: SLAS DISCOVERY: Advancing the Science of Drug Discovery, 23/6, 2018, Page(s) 495-510, ISSN 2472-5552
Publisher: SAGE Journals
DOI: 10.1177/2472555218773034

When fragments link: a bibliometric perspective on the development of fragment-based drug discovery

Author(s): Angelo K.S. Romasanta, Peter van der Sijde, Iina Hellsten, Roderick E. Hubbard, Gyorgy M. Keseru, Jacqueline van Muijlwijk-Koezen, Iwan J.P. de Esch
Published in: Drug Discovery Today, 23/9, 2018, Page(s) 1596-1609, ISSN 1359-6446
Publisher: Elsevier BV
DOI: 10.1016/j.drudis.2018.05.004

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Author(s): Scarpino, Bajusz, Proj, Gobec, Sosič, Gobec, Ferenczy, Keserű
Published in: Molecules, 24/14, 2019, Page(s) 2590, ISSN 1420-3049
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules24142590

DUckCov: a Dynamic Undocking‐Based Virtual Screening Protocol for Covalent Binders

Author(s): Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György M. Keserű
Published in: ChemMedChem, 14/10, 2019, Page(s) 1011-1021, ISSN 1860-7179
Publisher: Wiley - V C H Verlag GmbbH & Co.
DOI: 10.1002/cmdc.201900078

An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder

Author(s): Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
Published in: Communications Chemistry, 2/1, 2019, ISSN 2399-3669
Publisher: Nature
DOI: 10.1038/s42004-019-0205-5

Discovery of a novel kinase hinge binder fragment by dynamic undocking

Author(s): Moira Rachman, Dávid Bajusz, Anasztázia Hetényi, Andrea Scarpino, Balázs Merő, Attila Egyed, László Buday, Xavier Barril, György M. Keserű
Published in: RSC Medicinal Chemistry, 2020, ISSN 2632-8682
Publisher: The Royal Society of Chemistry
DOI: 10.1039/c9md00519f

Comparative reactivity analysis of small-molecule thiol surrogates

Author(s): László Petri, Péter Ábrányi-Balogh, Petra Regina Varga, Tímea Imre, György Miklós Keserű
Published in: Bioorganic & Medicinal Chemistry, 28/7, 2020, Page(s) 115357, ISSN 0968-0896
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.bmc.2020.115357

Design and characterization of a heterocyclic electrophilic fragment library for the discovery of cysteine-targeted covalent inhibitors

Author(s): A. Keeley, P. Ábrányi-Balogh, G. M. Keserű
Published in: MedChemComm, 10/2, 2019, Page(s) 263-267, ISSN 2040-2503
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8md00327k

Covalent fragment libraries in drug discovery

Author(s): Aaron Keeley, László Petri, Péter Ábrányi-Balogh, György M. Keserű
Published in: Drug Discovery Today, 2020, ISSN 1359-6446
Publisher: Elsevier BV
DOI: 10.1016/j.drudis.2020.03.016