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

Maciej Majewski, Sergio Ruiz-Carmona and Xavier Barril

Communications Chemistry (2019)

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

Moira Rachman, Andrea Scarpino, Dávid Bajusz, Gyula Pálfy, István Vida, András Perczel,
Xavier Barril and György M. Keserű

ChemMedChem (2019)

"Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening"

Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec,
György Ferenczy and György Keserű

Molecules (2019)

"A road map for prioritizing warheads for cysteine targeting covalent inhibitors"

Peter Abranyi-Balogh, Laszlo Petri, Tímea Imre, Peter Szijj, Andrea Scarpino,
Martina Hrast, Ana Mitrovic, Ursa Pecar Fonovic, Krisztina Nemeth, Helene Barreteau,
David Roper, Kata Horvati, Gyorgy Ferenczy, Janko Kos,Janez Ilas, Stanislav Gobec and
Gyorgy Keseru

European Journal of Medicinal Chemistry (2018)

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

Angelo Romasanta, Peter van der Sijde, Iina Hellsten, Roderick Hubbard, Gyorgy Keseru,
Jacqueline van Muijlwijk-Koezen and Iwan JP de Esch

Drug Discovery Today (2018)

"Heterocyclic electrophiles as new MurA inhibitors"

Aaron Keeley, Péter Ábrányi‐Balogh, Martina Hrast, Tímea Imre, Janez Ilaš,
Stanislav Gobec and György Keserű

Archiv der Pharmazie (2018)

"Using Fragment-Based Approaches to Discover New Antibiotics"

Bas Lamoree and Roderick Hubbard

SLAS DISCOVERY: Advancing Life Sciences R&D (2018)

"Dynamic Undocking: A Novel Method for Structure-Based Drug Discovery"

Maciej Majewski, Sergio Ruiz-Carmona and Xavier Barril

Rational Drug Design (2018)

"Predicting how drug molecules bind to their protein targets"

Moira Rachman, Xavier Barril and Roderick Hubbard

Current Opinion in Pharmacology (2018)

"Biophysical approach reveals a novel allosteric ligand binding site of SMYD3
histone methyltransferase"

Vladimir Talibov, Edoardo Faibini, Edward FitzGerald, Filip Mihalic

Digitala Vetenskapliga Arkivet (2018)

"Comparative Evaluation of Covalent Docking Tools"

Andrea Scarpino, György Ferenczy and György Keserű

Journal of Chemical Information and Modeling (2018)

"Current perspectives in fragment-based lead discovery (FBLD)"

Bas Lamoree and Roderick Hubbard

Essays in Biochemistry (2017)

Contact details

Please contact us at:

FRAGNET Coordinator
VU University Amsterdam
The Netherlands

Funded by

marie curie actions   Marie Curie Actions



EU Horizon 2020



european union logo   European Union