Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia von Keserű, György M, Erlanson, Daniel A, Ferenczy, György G, Hann, Michael M, Murray, Christopher W, Pickett, Stephen D

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Contributions of Molecular Properties to Drug Promiscuity: Miniperspective von Tarcsay, Ákos, Keserű, György M

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Conservation of Allosteric Ligand Binding Sites in G‑Protein Coupled Receptors von Wakefield, Amanda E., Bajusz, Dávid, Kozakov, Dima, Keserű, György M., Vajda, Sandor

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Is there a link between selectivity and binding thermodynamics profiles? von Tarcsay, Ákos, Keserű, György M.

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How Are Fragments Optimized? A Retrospective Analysis of 145 Fragment Optimizations von Ferenczy, György G, Keserű, György M

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Thermodynamics of Fragment Binding von Ferenczy, György G, Keserű, György M

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Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease von Godoy, Andre Schutzer, Nakamura, Aline Minalli, Douangamath, Alice, Song, Yun, Noske, Gabriela Dias, Gawriljuk, Victor Oliveira, Fernandes, Rafaela Sachetto, Pereira, Humberto D Muniz, Oliveira, Ketllyn Irene Zagato, Fearon, Daren, Dias, Alexandre, Krojer, Tobias, Fairhead, Michael, Powell, Alisa, Dunnet, Louise, Brandao-Neto, Jose, Skyner, Rachael, Chalk, Rod, Bajusz, Dávid, Bege, Miklós, Borbás, Anikó, Keserű, György Miklós, von Delft, Frank, Oliva, Glaucius

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Discovery of Subtype Selective Janus Kinase (JAK) Inhibitors by Structure-Based Virtual Screening von Bajusz, Dávid, Ferenczy, György G, Keserű, György M

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Virtual Fragment Docking by Glide: a Validation Study on 190 Protein−Fragment Complexes von Sándor, Márk, Kiss, Róbert, Keserű, György M

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A covalent strategy to target intrinsically disordered proteins: Discovery of novel tau aggregation inhibitors von Petri, László, Ábrányi-Balogh, Péter, Vagrys, Darius, Imre, Tímea, Varró, Nikolett, Mándity, István, Rácz, Anita, Wittner, Lucia, Tóth, Kinga, Tóth, Estilla Zsófia, Juhász, Tünde, Davis, Ben, Keserű, György Miklós

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Exploring protein hotspots by optimized fragment pharmacophores von Bajusz, Dávid, Wade, Warren S., Satała, Grzegorz, Bojarski, Andrzej J., Ilaš, Janez, Ebner, Jessica, Grebien, Florian, Papp, Henrietta, Jakab, Ferenc, Douangamath, Alice, Fearon, Daren, von Delft, Frank, Schuller, Marion, Ahel, Ivan, Wakefield, Amanda, Vajda, Sándor, Gerencsér, János, Pallai, Péter, Keserű, György M.

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The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs von Tarcsay, Ákos, Paragi, Gábor, Vass, Márton, Jójárt, Balázs, Bogár, Ferenc, Keserű, György M

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Activation-Free Sulfonyl Fluoride Probes for Fragment Screening von Petri, László, Ábrányi-Balogh, Péter, Csorba, Noémi, Keeley, Aaron, Simon, József, Ranđelović, Ivan, Tóvári, József, Schlosser, Gitta, Szabó, Dániel, Drahos, László, Keserű, György M

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Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening von Scarpino, Andrea, Bajusz, Dávid, Proj, Matic, Gobec, Martina, Sosič, Izidor, Gobec, Stanislav, Ferenczy, György G, Keserű, György M

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Enthalpic Efficiency of Ligand Binding von Ferenczy, György G, Keserű, György M

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Fingerprint-Based Machine Learning Approach to Identify Potent and Selective 5-HT2BR Ligands von Rataj, Krzysztof, Kelemen, Ádám Andor, Brea, José, Loza, María Isabel, Bojarski, Andrzej J., Keserű, György Miklós

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Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments von Kelemen, Ádám A, Kiss, Róbert, Ferenczy, György G, Kovács, László, Flachner, Beáta, Lőrincz, Zsolt, Keserű, György M

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Comparative evaluation of pK(a) prediction tools on a drug discovery dataset von Balogh, György T, Tarcsay, Akos, Keserű, György M

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On the enthalpic preference of fragment binding von Ferenczy, György G, Keser, György M

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Discovery of Novel Human Histamine H4 Receptor Ligands by Large-Scale Structure-Based Virtual Screening von Kiss, Róbert, Kiss, Béla, Könczöl, Árpád, Szalai, Ferenc, Jelinek, Ivett, László, Valéria, Noszál, Béla, Falus, András, Keserű, György M

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