Comparative Evaluation of Covalent Docking Tools von Scarpino, Andrea, Ferenczy, György G, Keserű, György M

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Expanding the medicinal chemistry synthetic toolbox von Boström, Jonas, Brown, Dean G., Young, Robert J., Keserü, György M.

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Affinity and Selectivity Assessment of Covalent Inhibitors by Free Energy Calculations von Mihalovits, Levente M, Ferenczy, György G, Keserű, György M

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The influence of lead discovery strategies on the properties of drug candidates von Keserü, György M, Makara, Gergely M

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The role of ligand efficiency metrics in drug discovery von Hopkins, Andrew L., Keserü, György M., Leeson, Paul D., Rees, David C., Reynolds, Charles H.

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Finding the sweet spot: the role of nature and nurture in medicinal chemistry von Hann, Michael M., Keserü, György M.

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Catalytic Mechanism and Covalent Inhibition of UDP‑N‑Acetylglucosamine Enolpyruvyl Transferase (MurA): Implications to the Design of Novel Antibacterials von Mihalovits, Levente M, Ferenczy, György G, 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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Why Some Targets Benefit from beyond Rule of Five Drugs von Egbert, Megan, Whitty, Adrian, Keserű, György M, Vajda, Sandor

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Electrophilic MiniFrags Revealed Unprecedented Binding Sites for Covalent HDAC8 Inhibitors von Keeley, Aaron B., Kopranovic, Aleksandra, Di Lorenzo, Vincenzo, Ábrányi-Balogh, Péter, Jänsch, Niklas, Lai, Linh N., Petri, László, Orgován, Zoltán, Pölöske, Daniel, Orlova, Anna, Németh, András György, Desczyk, Charlotte, Imre, Tímea, Bajusz, Dávid, Moriggl, Richard, Meyer-Almes, Franz-Josef, Keserü, György M.

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Binding Mode Prediction and Virtual Screening Applications by Covalent Docking von Scarpino, Andrea, Ferenczy, György G., Keserű, György M.

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Validity of Ligand Efficiency Metrics von Murray, Christopher W, Erlanson, Daniel A, Hopkins, Andrew L, Keserü, György M, Leeson, Paul D, Rees, David C, Reynolds, Charles H, Richmond, Nicola J

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Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease von Douangamath, Alice, Fearon, Daren, Gehrtz, Paul, Krojer, Tobias, Lukacik, Petra, Owen, C. David, Resnick, Efrat, Strain-Damerell, Claire, Aimon, Anthony, Ábrányi-Balogh, Péter, Brandão-Neto, José, Carbery, Anna, Davison, Gemma, Dias, Alexandre, Downes, Thomas D., Dunnett, Louise, Fairhead, Michael, Firth, James D., Jones, S. Paul, Keeley, Aaron, Keserü, György M., Klein, Hanna F., Martin, Mathew P., Noble, Martin E. M., O’Brien, Peter, Powell, Ailsa, Reddi, Rambabu N., Skyner, Rachael, Snee, Matthew, Waring, Michael J., Wild, Conor, London, Nir, von Delft, Frank, Walsh, Martin A.

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GPCRdb in 2021: integrating GPCR sequence, structure and function von Kooistra, Albert J, Mordalski, Stefan, Pándy-Szekeres, Gáspár, Esguerra, Mauricio, Mamyrbekov, Alibek, Munk, Christian, Keserű, György M, Gloriam, David E

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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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What is the future for fragment-based drug discovery? von Keser, György M, Hann, Michael M

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Impact of Lipophilic Efficiency on Compound Quality von Tarcsay, Ákos, Nyíri, Kinga, Keserű, György M

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Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X‑r... von Christopher, John A, Orgován, Zoltán, Congreve, Miles, Doré, Andrew S, Errey, James C, Marshall, Fiona H, Mason, Jonathan S, Okrasa, Krzysztof, Rucktooa, Prakash, Serrano-Vega, Maria J, Ferenczy, György G, Keserű, György M

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The G protein database, GproteinDb von Pándy-Szekeres, Gáspár, Esguerra, Mauricio, Hauser, Alexander S, Caroli, Jimmy, Munk, Christian, Pilger, Steven, Keserű, György M, Kooistra, Albert J, Gloriam, David E

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Vinylation of α‑Aminoazoles with Triethylamine: A General Strategy to Construct Azolo[1,5‑a]pyrimidines with a Nonsubstituted Ethylidene Fragment von Gao, Qinghe, Sun, Zhenhua, Xia, Qinfei, Li, Ruonan, Wang, Wenlong, Ma, Siwei, Chai, Yixin, Wu, Manman, Hu, Wei, Ábrányi-Balogh, Péter, Keserű, György M, Han, Xinya

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