FRAGments training NETwork

Rezultaty

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].

Publikacje

Current perspectives in fragment-based lead discovery (FBLD)

Autorzy: Bas Lamoree, Roderick E. Hubbard
Opublikowane w: Essays In Biochemistry, Numer 61/5, 2017, Strona(/y) 453-464, ISSN 0071-1365
Wydawca: Portland Press, Ltd.
DOI: 10.1042/EBC20170028

Using Fragment-Based Approaches to Discover New Antibiotics

Autorzy: Bas Lamoree, Roderick E. Hubbard
Opublikowane w: SLAS DISCOVERY: Advancing the Science of Drug Discovery, Numer 23/6, 2018, Strona(/y) 495-510, ISSN 2472-5552
Wydawca: SAGE Journals
DOI: 10.1177/2472555218773034

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

Autorzy: 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
Opublikowane w: Drug Discovery Today, Numer 23/9, 2018, Strona(/y) 1596-1609, ISSN 1359-6446
Wydawca: Elsevier BV
DOI: 10.1016/j.drudis.2018.05.004

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Autorzy: Scarpino, Bajusz, Proj, Gobec, Sosič, Gobec, Ferenczy, Keserű
Opublikowane w: Molecules, Numer 24/14, 2019, Strona(/y) 2590, ISSN 1420-3049
Wydawca: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/molecules24142590

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

Autorzy: Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel, Xavier Barril, György M. Keserű
Opublikowane w: ChemMedChem, Numer 14/10, 2019, Strona(/y) 1011-1021, ISSN 1860-7179
Wydawca: 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

Autorzy: Maciej Majewski, Sergio Ruiz-Carmona, Xavier Barril
Opublikowane w: Communications Chemistry, Numer 2/1, 2019, ISSN 2399-3669
Wydawca: Nature
DOI: 10.1038/s42004-019-0205-5

Discovery of a novel kinase hinge binder fragment by dynamic undocking

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

Comparative reactivity analysis of small-molecule thiol surrogates

Autorzy: László Petri, Péter Ábrányi-Balogh, Petra Regina Varga, Tímea Imre, György Miklós Keserű
Opublikowane w: Bioorganic & Medicinal Chemistry, Numer 28/7, 2020, Strona(/y) 115357, ISSN 0968-0896
Wydawca: 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

Autorzy: A. Keeley, P. Ábrányi-Balogh, G. M. Keserű
Opublikowane w: MedChemComm, Numer 10/2, 2019, Strona(/y) 263-267, ISSN 2040-2503
Wydawca: Royal Society of Chemistry
DOI: 10.1039/c8md00327k

Covalent fragment libraries in drug discovery

Autorzy: Aaron Keeley, László Petri, Péter Ábrányi-Balogh, György M. Keserű
Opublikowane w: Drug Discovery Today, 2020, ISSN 1359-6446
Wydawca: Elsevier BV
DOI: 10.1016/j.drudis.2020.03.016

Rezultaty

Publikacje

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