Henderikx et al., “VitroJet: new features and case studies”; Structural Biology. 2024
Henderikx et al., “VitroJet: new features and case studies”; Structural Biology. 2024
https://journals.iucr.org/d/issues/2024/04/00/ih5005/index.html
Henderikx et al., “VitroJet: new features and case studies”; Structural Biology. 2024
https://journals.iucr.org/d/issues/2024/04/00/ih5005/index.html
Day et al., “Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2)”; J. Med. Chem. 2024
Woodhead et al., “Fragment-to-Lead Medicinal Chemistry Publications in 2022”; J. Med. Chem. 2024
Townley et al., “Enabling synthesis in fragment-based drug discovery (FBDD): microscale high-throughput optimisation of the medicinal chemist’s toolbox reactions”; RSC Med. Chem.2023
Wu et al., “A Diverse Array of Large Capsules Transform in Response to Stimuli”; J. Am. Chem. Soc. 2023
Morado et al., “Does a Machine-Learned Potential Perform Better Than an Optimally Tuned Traditional Force Field? A Case Study on Fluorohydrins”; J. Chem. Inf. Model. 2023
Taylor et al., “Accelerated Chemical Reaction Optimization using Multi-Task Learning”; ACS Cent. Sci. 2023
Taylor et al., A Brief Introduction to Chemical Reaction Optimization; Chem Rev. 2023
Wu et al., Systematic construction of progressively larger capsules from a fivefold linking pyrrole-based subcomponent; Nature Synthesis 2023
Rees et al., “Introduction to the themed collection on fragment-based drug discovery”; RSC Med. Chem 2022