FRAGments training NETwork

Livrables

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].

Publications

Current perspectives in fragment-based lead discovery (FBLD)

Auteurs: Bas Lamoree, Roderick E. Hubbard
Publié dans: Essays In Biochemistry, Numéro 61/5, 2017, Page(s) 453-464, ISSN 0071-1365
Éditeur: Portland Press, Ltd.
DOI: 10.1042/EBC20170028

Using Fragment-Based Approaches to Discover New Antibiotics

Auteurs: Bas Lamoree, Roderick E. Hubbard
Publié dans: SLAS DISCOVERY: Advancing the Science of Drug Discovery, Numéro 23/6, 2018, Page(s) 495-510, ISSN 2472-5552
Éditeur: SAGE Journals
DOI: 10.1177/2472555218773034

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

Auteurs: 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
Publié dans: Drug Discovery Today, Numéro 23/9, 2018, Page(s) 1596-1609, ISSN 1359-6446
Éditeur: Elsevier BV
DOI: 10.1016/j.drudis.2018.05.004

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Auteurs: Scarpino, Bajusz, Proj, Gobec, Sosič, Gobec, Ferenczy, Keserű
Publié dans: Molecules, Numéro 24/14, 2019, Page(s) 2590, ISSN 1420-3049
Éditeur: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules24142590

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

Auteurs: Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György M. Keserű
Publié dans: ChemMedChem, Numéro 14/10, 2019, Page(s) 1011-1021, ISSN 1860-7179
Éditeur: 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

Auteurs: Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
Publié dans: Communications Chemistry, Numéro 2/1, 2019, ISSN 2399-3669
Éditeur: Nature
DOI: 10.1038/s42004-019-0205-5

Discovery of a novel kinase hinge binder fragment by dynamic undocking

Auteurs: Moira Rachman, Dávid Bajusz, Anasztázia Hetényi, Andrea Scarpino, Balázs Merő, Attila Egyed, László Buday, Xavier Barril, György M. Keserű
Publié dans: RSC Medicinal Chemistry, 2020, ISSN 2632-8682
Éditeur: The Royal Society of Chemistry
DOI: 10.1039/c9md00519f

Comparative reactivity analysis of small-molecule thiol surrogates

Auteurs: László Petri, Péter Ábrányi-Balogh, Petra Regina Varga, Tímea Imre, György Miklós Keserű
Publié dans: Bioorganic & Medicinal Chemistry, Numéro 28/7, 2020, Page(s) 115357, ISSN 0968-0896
Éditeur: 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

Auteurs: A. Keeley, P. Ábrányi-Balogh, G. M. Keserű
Publié dans: MedChemComm, Numéro 10/2, 2019, Page(s) 263-267, ISSN 2040-2503
Éditeur: Royal Society of Chemistry
DOI: 10.1039/c8md00327k

Covalent fragment libraries in drug discovery

Auteurs: Aaron Keeley, László Petri, Péter Ábrányi-Balogh, György M. Keserű
Publié dans: Drug Discovery Today, 2020, ISSN 1359-6446
Éditeur: Elsevier BV
DOI: 10.1016/j.drudis.2020.03.016

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