Twenty years on: the impact of fragments on drug discovery

Cited by (1,000)

Items 401–500 of 1,000

1. Virtual fragment screening for DNA repair inhibitors in vast chemical space
   Andreas Luttens, Duc Duy Vo, Emma Rose Scaletti, Elisée Wiita, Ingrid Almlöf, Olov A. Wallner, Jonathan R. Davies, Sara Persson Košenina, Liuzhen Meng, Maeve Long et al. · 2025 · Nature Communications
2. High-Confidence Protein–Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization
   Andrew Proudfoot, Dirksen E. Bussiere, Andreas Lingel · 2017 · Journal of the American Chemical Society
3. Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation
   Lin Wei, Wuqiang Wen, Li Rao, Yunyuan Huang, Mengting Lei, Kai Liu, Saiya Hu, Rongrong Song, Yanliang Ren, Jian Wan · 2020 · Journal of Chemical Information and Modeling
4. Inspecting the Mechanism of Fragment Hits Binding on SARS‐CoV‐2 M pro by Using Supervised Molecular Dynamics (SuMD) Simulations
   Maicol Bissaro, Giovanni Bolcato, Matteo Pavan, Davide Bassani, Mattia Sturlese, Stefano Moro · 2021 · ChemMedChem
5. Current medicinal chemistry strategies in the discovery of novel HIV-1 ribonuclease H inhibitors
   Lina Zhang, Fenju Wei, Jiwei Zhang, Chuanfeng Liu, Nerea López‐Carrobles, Xinyong Liu, Luis Menéndez‐Arias, Peng Zhan · 2022 · European Journal of Medicinal Chemistry
6. Computational drug discovery under RNA times
   Mattia Bernetti, Riccardo Aguti, Stefano Bosio, Maurizio Recanatini, Matteo Masetti, Andrea Cavalli · 2022 · QRB Discovery
7. Fragment optimization and elaboration strategies – the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits
   Christopher R. Smith, Svitlana Kulyk, Misbha Ud Din Ahmad, Valentina Arkhipova, James G. Christensen, Robin J. Gunn, Anthony Ivetac, John M. Ketcham, Jon E. Kuehler, J. David Lawson et al. · 2022 · RSC Medicinal Chemistry
8. Recent Advances on PKM2 Inhibitors and Activators in Cancer Applications
   Peng Chen, Liang Lou, Bigyan Sharma, Mengchu Li, Chengliang Xie, Fen Yang, Yihang Wu, Qicai Xiao, Liqian Gao · 2023 · Current Medicinal Chemistry
9. Application of the fragment molecular orbital method analysis to fragment-based drug discovery of BET (bromodomain and extra-terminal proteins) inhibitors
   Motoyasu Ozawa, Tomonaga Ozawa, Kazuyoshi Ueda · 2017 · Journal of Molecular Graphics and Modelling
10. Access to 3D Alicyclic Amine-Containing Fragments through Transannular C–H Arylation
    Melissa Lee, Ashley M. Adams, Philip B. Cox, Melanie Sarah Sanford · 2019 · Synlett
11. From Substrate to Fragments to Inhibitor Active In Vivo against Staphylococcus aureus
    Muriel Gelin, Julie Paoletti, Marie‐Anne Nahori, Valérie Huteau, Clarisse Leseigneur, Grégory Jouvion, Laurence Dugué, David A. Clément, Jean-Luc Pons, Liliane Assairi et al. · 2020 · ACS Infectious Diseases
12. Discovering High Potent Hsp90 Inhibitors as Antinasopharyngeal Carcinoma Agents through Fragment Assembling Approach
    Meng‐Yang Xu, Chao Zhao, Biying Zhu, Liangyue Wang, Huihao Zhou, Daoguang Yan, Qiong Gu, Jun Xu · 2021 · Journal of Medicinal Chemistry
13. Hot-Spotting with Thermal Scanning: A Ligand- and Structure-Independent Assessment of Target Ligandability
    Molly Chilton, Benjamin Clennell, Fredrik Edfeldt, Stefan Geschwindner · 2017 · Journal of Medicinal Chemistry
14. Discovery of Novel BRD4 Ligand Scaffolds by Automated Navigation of the Fragment Chemical Space
    Serena G. Piticchio, Miriam Martínez‐Cartró, Salvatore Scaffidi, Moira M. Rachman, Sergio Rodríguez‐Arévalo, Ainoa Sánchez‐Arfelis, Carmen Escolano, S. Picaud, Tobias J. Krojer, P. Filippakopoulos et al. · 2021 · Journal of Medicinal Chemistry
15. Implications of Fragment-Based Drug Discovery in Tuberculosis and HIV
    Mohan Krishna Mallakuntla, Namdev S. Togre, Destiny B. Santos, Sangeeta Tiwari · 2022 · Pharmaceuticals
16. Design and Evaluation of a Low Hydrogen Bond Donor Count Fragment Screening Set to Aid Hit Generation of PROTACs Intended for Oral Delivery
    Benjamin C. Whitehurst, Matthias R. Bauer, Fredrik Edfeldt, Anders Gunnarsson, Christian Margreitter, Philip B. Rawlins, R. Ian Storer · 2023 · Journal of Medicinal Chemistry
17. Fragment-based drug discovery campaigns guided by native mass spectrometry
    Louise M. Sternicki, Sally‐Ann Poulsen · 2024 · RSC Medicinal Chemistry
18. Chemical Proteomics–Guided Discovery of Covalent Ligands for Cancer Proteins
    Xiaoyu Zhang, Benjamin F. Cravatt · 2024 · Annual Review of Cancer Biology
19. Identification of DNA primase inhibitors via a combined fragment-based and virtual screening
    Stefan Ilic, Sabine Ruth Akabayov, Haribabu Arthanari, Gerhard Wagner, Charles Clifton Richardson, Barak Akabayov · 2016 · Scientific Reports
20. Fragment-Based Drug Discovery of Phosphodiesterase Inhibitors
    Fredrik Svensson, Andreas Bender, David Stanley Bailey · 2017 · Journal of Medicinal Chemistry
21. Fragment-based approach to identify IDO1 inhibitor building blocks
    Alice Coletti, Francesca Camponeschi, Elisa Albini, Francesco Antonio Greco, Vincenzo Maione, Chiara Custodi, Federica Ianni, Ursula Grohmann, Ciriana Orabona, Francesca Cantini et al. · 2017 · European Journal of Medicinal Chemistry
22. Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors
    Shan Xiao, Lin Wei, Zongqin Hong, Li Rao, Yanliang Ren, Jian Wan, Lingling Feng · 2019 · Bioorganic & Medicinal Chemistry
23. NMR spectroscopy: the swiss army knife of drug discovery
    Reto Horst, Kathleen A. Farley, Bethany L. Kormos, Jane M. Withka · 2020 · Journal of Biomolecular NMR
24. Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
    J. Wollenhaupt, Tatjana Barthel, G.M.A. Lima, A. Metz, Dirk Wallacher, Elmir Jagudin, Franziska U. Huschmann, Thomas Hauß, Christian G. Feiler, Martin Gerlach et al. · 2021 · Journal of Visualized Experiments
25. Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase
    Jia Yi, Zhengjun Cai, Haipeng Qiu, Feihu Lu, Zhiteng Luo, Bingyi Chen, Qiong Gu, Jun Xu, Huihao Zhou · 2022 · Nucleic Acids Research
26. Advances in ERK1/2 inhibition: a medicinal chemistry perspective on structure and regulation
    Vimlendu Kumar Sah, Ankit Kumar Singh, Adarsh M Kumar, Vineet Prajapati, A. K. Kalsi, Habibullah Khalilullah, Mariusz Jaremko, Abdul-Hamid M. Emwas, Amita Verma, Pradeep Kumar · 2025 · Journal of Enzyme Inhibition and Medicinal Chemistry
27. A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design
    Lucian Chan, Rajendra Kumar, Marcel L. Verdonk, Carl R. Poelking · 2022 · Nature Machine Intelligence
28. Bioorthogonal Tethering Enhances Drug Fragment Affinity for G Protein-Coupled Receptors in Live Cells
    Jordan M. Mattheisen, Chris Limberakis, Roger B. Ruggeri, Matthew Dowling, Christopher W. am Ende, Emilie Ceraudo, Thomas Huber, Christopher L. McClendon, Thomas P. Sakmar · 2023 · Journal of the American Chemical Society
29. Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening
    Ashima Chopra, Joseph D. Bauman, Francesc X. Ruiz, Eddy Arnold · 2023 · Journal of Medicinal Chemistry
30. Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2)
    James E. H. Day, Valério Berdini, Joan Castro, Gianni Chessari, Thomas G. Davies, Philip J. Day, Jeffrey D. St. Denis, Hideto Fujiwara, Satoshi Fukaya, Christopher C. F. Hamlett et al. · 2024 · Journal of Medicinal Chemistry
31. Determination of ligand binding modes in weak protein–ligand complexes using sparse NMR data
    Biswaranjan Mohanty, Martin L Williams, B.C. Doak, Mansha Vazirani, Olga V. Ilyichova, Geqing Wang, Wolfgang Bermel, Jamie S. Simpson, David K. Chalmers, Glenn F. King et al. · 2016 · Journal of Biomolecular NMR
32. High-Throughput Chemical Probing of Full-Length Protein–Protein Interactions
    James M. Song, Arya Menon, Dylan Charles Mitchell, Oleta T. Johnson, Amanda L. Garner · 2017 · ACS Combinatorial Science
33. Design and synthesis of a fragment set based on twisted bicyclic lactams
    Haitham Hassan, Stephen P. Marsden, Adam S. Nelson · 2018 · Bioorganic & Medicinal Chemistry
34. Thermodynamic profiling for fragment-based lead discovery and optimization
    György G. Ferenczy, György Miklós Keserű · 2019 · Expert Opinion on Drug Discovery
35. FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design
    Carles Perez‐Lopez, Daniel Soler, Robert Soliva, Vı́ctor Guallar · 2020 · Journal of Chemical Information and Modeling
36. Recent developments in the use of fluorine NMR in synthesis and characterisation
    Peter W. A. Howe · 2020 · Progress in Nuclear Magnetic Resonance Spectroscopy
37. Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?
    Malgorzata N. Drwal, Célien Jacquemard, Carlos A. Perez, Jérémy Desaphy, Esther Kellenberger · 2017 · Journal of Chemical Information and Modeling
38. Exploiting the furo[2,3-b]pyridine core against multidrug-resistant Mycobacterium tuberculosis
    Fernando Fumagalli, Shaiani Maria Gil de Melo, Camila Maríngolo Ribeiro, Mariana Cristina Solcia, Fernando Rogerio Pavan, Flávio da Silva Emery · 2019 · Bioorganic & Medicinal Chemistry Letters
39. Computer-aided drug design: time to play with novel chemical matter
    Xavier Barril · 2017 · Expert Opinion on Drug Discovery
40. Allostery
    Mateu Montserrat‐Canals, Gabriele Cordara, Ute Krengel · 2025 · Quarterly Reviews of Biophysics
41. Biomimetic separations in chemistry and life sciences
    Fotios N. Tsopelas, Chrysanthos Stergiopoulos, Panagiotis Danias, Anna Tsantili‐Kakoulidou · 2025 · Microchimica Acta
42. Advances in development of antiviral strategies against respiratory syncytial virus
    Ge Yang, Guangyu Jiang, Jian‐Dong Jiang, Yuhuan Li · 2025 · Acta Pharmaceutica Sinica B
43. Perspective on Antibacterial Lead Identification Challenges and the Role of Hypothesis-Driven Strategies
    Laura L. McDowell, Cheryl L. Quinn, Jennifer A. Leeds, Jared A. Silverman, Lynn L. Silver · 2019 · SLAS DISCOVERY
44. Fragment Screening Yields a Small‐Molecule Stabilizer of 14‐3‐3 Dimers That Modulates Client Protein Interactions
    Hendrik J. Brink, Rick Riemens, Stephanie A. Thee, Berend Beishuizen, Daniel Da Costa Pereira, Maikel Wijtmans, Iwan J. P. de Esch, Martine J. Smit, Albertus H. DE BOER · 2022 · ChemBioChem
45. Forces Driving a Magic Bullet to Its Target: Revisiting the Role of Thermodynamics in Drug Design, Development, and Optimization
    Conceição A.S.A. Minetti, David P. Remeta · 2022 · Life
46. Precision Oncology Comes of Age: Designing Best-in-Class Small Molecules by Integrating Two Decades of Advances in Chemistry, Target Biology, and Data Science
    Darrin D. Stuart, Angel Guzman-Perez, Natasja Brooijmans, Erica L. Jackson, Gregory V. Kryukov, Adam A. Friedman, Axel Hoos · 2023 · Cancer Discovery
47. Where and how to house big data on small fragments
    Daniel A. Erlanson, Stephen Kevin Burley, D. Fearon, James S. Fraser, Dale F. Kreitler, Maria Cristina Nonato, Naoki Sakai, J. Wollenhaupt, Manfred S. Weiss · 2025 · Nature Communications
48. CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR
    Luca G. Mureddu, Timothy J. Ragan, Edward J. Brooksbank, Geerten W. Vuister · 2020 · Journal of Biomolecular NMR
49. A COVID moonshot: assessment of ligand binding to the SARS-CoV-2 main protease by saturation transfer difference NMR spectroscopy
    Anastassia L. Kantsadi, Emma Cattermole, Minos–Timotheos Matsoukas, Georgios A. Spyroulias, Ioannis Vakonakis · 2021 · Journal of Biomolecular NMR
50. The SGC beyond structural genomics: redefining the role of 3D structures by coupling genomic stratification with fragment-based discovery
    Anthony R Bradley, Aude Echalier, M. Fairhead, Claire M. Strain-Damerell, Paul E. Brennan, Alex N. Bullock, N. Burgess-Brown, Elisabeth P. Carpenter, O. Gileadi, Brian D. Marsden et al. · 2017 · Essays in Biochemistry
51. A Guide to Run Affinity Screens Using Differential Scanning Fluorimetry and Surface Plasmon Resonance Assays
    Christian Bergsdorf, S. Kirk Wright · 2018 · Methods in enzymology on CD-ROM/Methods in enzymology
52. Optimization of novel reversible Bruton’s tyrosine kinase inhibitors identified using Tethering-fragment-based screens
    Brian T. Hopkins, Eris Bame, Noah Bell, Tonika Bohnert, Jon K. Bowden-Verhoek, Minna Bui, Mark T. Cancilla, Patrick R. Conlon, Patrick F. Cullen, Daniel A. Erlanson et al. · 2019 · Bioorganic & Medicinal Chemistry
53. Identification, synthesis and evaluation of CSF1R inhibitors using fragment based drug design
    Pavan Kumar Machiraju, Yedla Poornachandra, Satya Prakash Gubbala, Taher Bohari, Jaleel K.V. Abdul, Shili Xu, Rahul V. Patel, Chittireddy Venkata Ramana Reddy, Kiran Boppana, Sarma A.R.P. Jagarlapudi et al. · 2019 · Computational Biology and Chemistry
54. PPI Modulators of E6 as Potential Targeted Therapeutics for Cervical Cancer: Progress and Challenges in Targeting E6
    Lennox Chitsike, Penelope J. Duerksen-Hughes · 2021 · Molecules
55. A Step toward NRF2‐DNA Interaction Inhibitors by Fragment‐Based NMR Methods
    Sven Brüschweiler, Julian E. Fuchs, Gerd Bader, Darryl B. McConnell, Robert Konrat, Moriz Mayer · 2021 · ChemMedChem
56. Salicylate metal-binding isosteres as fragments for metalloenzyme inhibition
    Moritz K. Jackl, Hyeonglim Seo, Johannes Karges, Mark Kalaj, Seth M. Cohen · 2022 · Chemical Science
57. Fragment-based approaches to discover ligands for tumor-specific E3 ligases
    Junhyeong Yim, Solbi Kim, Hyung Ho Lee, Jin Soo Chung, Jongmin Park · 2024 · Expert Opinion on Drug Discovery
58. Enantioselective OTUD7B fragment discovery through chemoproteomics screening and high-throughput optimisation
    Aini Vuorinen, Cassandra R. Kennedy, Katherine A. McPhie, William J. McCarthy, Jonathan Pettinger, Mark J. Skehel, David House, Jacob T. Bush, Katrin Rittinger · 2025 · Communications Chemistry
59. From part to whole: AI-driven progress in fragment-based drug discovery
    Jinhyeok Yoo, Wonkyeong Jang, Woong‐Hee Shin · 2025 · Current Opinion in Structural Biology
60. Antimalarial drug discovery targeting apical membrane antigen 1
    Shane M. Devine, Christopher A. MacRaild, Raymond S. Norton, Peter J. Scammells · 2016 · MedChemComm
61. Exploring Multi‐Subsite Binding Pockets in Proteins: DEEP‐STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B
    Serena Monaco, Samuel J. Walpole, Hassan Doukani, Ridvan Nepravishta, Macarena Martínez‐Bailén, Ana Teresa Carmona, Javier Ramos‐Soriano, Maria Bergström, Inmaculada Robina, Jesus Angulo · 2020 · Chemistry - A European Journal
62. Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins
    Mihaela D. Smilova, Peter R. Curran, Chris J. Radoux, F. von Delft, Jason C. Cole, Anthony R Bradley, Brian D. Marsden · 2022 · Journal of Chemical Information and Modeling
63. Identification of a small compound that specifically inhibits Zika virus in vitro and in vivo by targeting the NS2B-NS3 protease
    Juan Miao, Honggen Yuan, Jingwei Rao, Jiahui Zou, Kelu Yang, Guiqing Peng, Shengbo Cao, Huanchun Chen, Yunfeng Song · 2022 · Antiviral Research
64. The role of small-angle scattering in structure-based screening applications
    Po‐Chia Chen, Janosch Hennig · 2018 · Biophysical Reviews
65. LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance
    Laura Chachulski, Björn Windshügel · 2020 · Journal of Chemical Information and Modeling
66. Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitors
    The COVID Moonshot Consortium, John D. Chodera, Alpha A. Lee, Nir London, F. von Delft · 2021 · ChemRxiv
67. Emergence of specific binding and catalysis from a designed generalist binding protein
    Yuda Chen, Sagar Bhattacharya, Lena Bergmann, G.J. Correy, Sophia K. Tan, Kaipeng Hou, J.T. Biel, Lei Lu, Ian J. Bakanas, Jason E. Gestwicki et al. · 2026 · Nature Chemistry
68. The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors—A Spin-Off Discovery from Fragment Screening
    Sarah L. Mueller, Panagiotis K. Chrysanthopoulos, Maria A. Halili, Caryn Hepburn, Thomas Nebl, Claudiu Trandafir Supuran, Alessio Nocentini, Thomas S. Peat, Sally‐Ann Poulsen · 2021 · Molecules
69. Absorbing knowledge from an emerging field: The role of interfacing by proponents in big pharma
    Angelo Kenneth S. Romasanta, Peter van der Sijde, Iwan J. P. de Esch · 2021 · Technovation
70. Innovations in targeting RNA by fragment-based ligand discovery
    Jordan T. Koehn, Simon Felder, Kevin M. Weeks · 2023 · Current Opinion in Structural Biology
71. 3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studies
    Vijay Kumar, Kailash Jangid, Naveen Kumar, Vinay Kumar, Vinod Kumar · 2024 · Journal of Biomolecular Structure and Dynamics
72. Development and Validation of 2D Difference Intensity Analysis for Chemical Library Screening by Protein‐Detected NMR Spectroscopy
    John M. Egner, Davin R. Jensen, Michael D. Olp, Nolan W. Kennedy, Brian F. Volkman, Francis C. Peterson, Brian C. Smith, R. Blake Hill · 2017 · ChemBioChem
73. Diversity-oriented synthesis of bicyclic fragments containing privileged azines
    Nicola Luise, Paul Graham Wyatt · 2018 · Bioorganic & Medicinal Chemistry Letters
74. Alchemical free energy calculations via metadynamics: Application to the theophylline‐RNA aptamer complex
    Yoshiaki Tanida, Azuma Matsuura · 2020 · Journal of Computational Chemistry
75. Towards the De Novo Design of HIV-1 Protease Inhibitors Based on Natural Products
    Ana L. Chávez‐Hernández, K. Eurídice Juárez‐Mercado, Fernanda I. Saldívar‐González, José L. Medina‐Franco · 2021 · Biomolecules
76. Rapid Assembly of Saturated Nitrogen Heterocycles in One‐Pot: Diazo‐Heterocycle “Stitching” by N–H Insertion and Cyclization
    Alexander J. Boddy, Dominic P. Affron, Christopher J. Cordier, Emma L. Rivers, Alan C. Spivey, James A. Bull · 2018 · Angewandte Chemie
77. Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein–Protein Interaction Sites
    Tatjana Barthel, J. Wollenhaupt, G.M.A. Lima, M.C. Wahl, Manfred S. Weiss · 2022 · Journal of Medicinal Chemistry
78. Chemical Validation of Mycobacterium tuberculosis Phosphopantetheine Adenylyltransferase Using Fragment Linking and CRISPR Interference**
    Jamal El Bakali, Michał Błaszczyk, Joanna C. Evans, Jennifer A. Boland, William J. McCarthy, Imam Fathoni, M.V.B. Dias, Eachan O. Johnson, Anthony G. Coyne, Valerie Mizrahi et al. · 2023 · Angewandte Chemie International Edition
79. Using Structure-guided Fragment-Based Drug Discovery to Target Pseudomonas aeruginosa Infections in Cystic Fibrosis
    Sheikh Mohammed Arif, R. Andrés Floto, Tom L. Blundell · 2022 · Frontiers in Molecular Biosciences
80. Palladium-Catalyzed Stereoselective 1,3-Diarylation of 1,4-Cyclohexadiene
    Hai‐Liang Pang, Dong Wu, Guoyin Yin · 2021 · Chinese Journal of Organic Chemistry
81. Green Drug Discovery: Novel Fragment Space from the Biomass-Derived Molecule Dihydrolevoglucosenone (CyreneTM)
    Tom Dekker, Jaap W. Harteveld, Gábor Wágner, Max C. M. de Vries, Hans Custers, Andrea C. van de Stolpe, Iwan J. P. de Esch, Maikel Wijtmans · 2023 · Molecules
82. Going beyond Binary: Rapid Identification of Protein–Protein Interaction Modulators Using a Multifragment Kinetic Target-Guided Synthesis Approach
    Katya Pavlova Nacheva, Sameer S. Kulkarni, Mintesinot Kassu, David L. Flanigan, Andrii Monastyrskyi, Iredia David Iyamu, Kenichiro Doi, Megan M. Barber, Niranjan Kumar Namelikonda, Jeremiah D. Tipton et al. · 2023 · Journal of Medicinal Chemistry
83. Enabling synthesis in fragment-based drug discovery (FBDD): microscale high-throughput optimisation of the medicinal chemist's toolbox reactions
    Chloe Townley, Davide Branduardi, Gianni Chessari, Benjamin D. Cons, Charlotte Griffiths-Jones, Richard J. Hall, Christopher N. Johnson, Yuji Ochi, Stuart Whibley, Rachel Grainger · 2023 · RSC Medicinal Chemistry
84. Covalent Fragment Screening and Optimization Identifies the Chloroacetohydrazide Scaffold as Inhibitors for Ubiquitin C-terminal Hydrolase L1
    Ryan D. Imhoff, Rishi S. Patel, Muhammad Hassan Safdar, Hannah B. L. Jones, Adán Pinto-Fernández, Iolanda Vendrell, Hao Chen, Christine S. Muli, Aaron D. Krabill, Benedikt Mathias Kessler et al. · 2024 · Journal of Medicinal Chemistry
85. Chemical screening by time-resolved X-ray scattering to discover allosteric probes
    Chris A. Brosey, Todd M Link, Runze Shen, Davide Moiani, Kathryn H. Burnett, Greg L. Hura, Darin E. Jones, John A. Tainer · 2024 · Nature Chemical Biology
86. In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-bot
    Yi An, Jiwoong Lim, Marta Glavatskikh, Xiaowen Wang, Jacqueline L. Norris-Drouin, P. Brian Hardy, Tina M. Leisner, Kenneth H. Pearce, Dmitri Kireev · 2024 · Nature Communications
87. Higher Contrast in 1 H‐Observed NMR Ligand Screening with the PEARLScreen Experiment
    Nils Lorz, Barbara Czarniecki, Sandra Loss, Benno Meier, Alvar D. Gossert · 2025 · Angewandte Chemie International Edition
88. Modular Synthetic Platform for the Elaboration of Fragments in Three Dimensions for Fragment-Based Drug Discovery
    Andres R. Gomez-Angel, Hanna F. Klein, Sihui Yao, James R. Donald, James D. Firth, Rebecca Appiani, Cameron J. Palmer, Joshua Lincoln, Simon C. C. Lucas, Lucia Fusani et al. · 2025 · Journal of the American Chemical Society
89. Allosteric Tuning of Caspase‐7: A Fragment‐Based Drug Discovery Approach
    Nicholas R. Vance, Lokesh Gakhar, M. Ashley Spies · 2017 · Angewandte Chemie International Edition
90. Development of a Fragment-Based Screening Assay for the Focal Adhesion Targeting Domain Using SPR and NMR
    Carlos Alvarado, Erik P. Stahl, Karissa Koessel, Andrew Rivera, Brian R. Cherry, Surya V. S. R. K. Pulavarti, Thomas Szyperski, William G. Cance, Timothy A. Marlowe · 2019 · Molecules
91. Combining fragment docking with graph theory to improve ligand docking for homology model structures
    Sara Sarfaraz, Iqra Muneer, Haiyan Liu · 2020 · Journal of Computer-Aided Molecular Design
92. On-DNA hydroalkylation of N -vinyl heterocycles via photoinduced EDA-complex activation
    Mohammed Sharique, Bianca T. Matsuo, Albert Granados, Saegun Kim, Mahwish Arshad, Hyunjung Oh, Victoria E. Wu, Minxue Huang, Adam Csakai, Lisa A. Marcaurelle et al. · 2023 · Chemical Science
93. Fragment‐Based Phenotypic Lead Discovery: Cell‐Based Assay to Target Leishmaniasis
    Yann Ayotte, François Bilodeau, Albert Descoteaux, Steven R. LaPlante · 2018 · ChemMedChem
94. ‘Tethering’ fragment-based drug discovery to identify inhibitors of the essential respiratory membrane protein type II NADH dehydrogenase
    Adam Heikal, Yoshio Nakatani, Wanting Jiao, Chris G.M. Wilson, David Rennison, Marion R. Weimar, Emily J. Parker, Margaret Anne Brimble, Gregory Murray Cook · 2018 · Bioorganic & Medicinal Chemistry Letters
95. Discovery of a novel kinase hinge binder fragment by dynamic undocking
    Moira M. Rachman, Dávid Bajusz, Anasztázia Hetényi, Andrea Scarpino, Balázs L. Merő, Attila Egyed, László Buday, Xavier Barril, György Miklós Keserű · 2020 · RSC Medicinal Chemistry
96. A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II
    Steffen Glöckner, A. Heine, Gerhard Klebe · 2020 · Biomolecules
97. Targeted Protein Acetylation Through Chemically Induced Proximity
    Wei Wang, Soumya Jyoti Singha Roy, Christopher G. Parker · 2025 · Accounts of Chemical Research
98. In situ crystal data-collection and ligand-screening system at SPring-8
    Hideo Okumura, Naoki Sakai, Hironori Murakami, Nobuhiro Mizuno, Yuki Nakamura, Go Ueno, Takuya Masunaga, Takashi Kawamura, Seiki Baba, Kazuya Hasegawa et al. · 2022 · Acta Crystallographica Section F Structural Biology Communications
99. A data-driven machine learning approach for discovering potent LasR inhibitors
    Christabel Ming Ming Koh, Lilian Siaw Yung Ping, Christopher Ha Heng Xuan, Lau Bee Theng, Hwang Siaw San, Enzo A. Palombo, Xavier Chee Wezen · 2023 · Bioengineered
100. Impact of library input on the hit discovery rate in DNA-encoded chemical library selections
     Sara Puglioli, Sebastian Oehler, Luca Prati, Jörg Scheuermann, Gabriele Bassi, Samuele Cazzamalli, Dario Neri, Nicholas Favalli · 2023 · Chemical Science