Publications

TexRank Crystal Targeting:

Ng, J. T., et al. Using textons to rank crystallisation droplets by the likely presence of crystals. Acta Cryst D, 70, 2701-2718 (2014). https://doi.org/10.1107/S1399004714017581

ECHO Fragment Dispensing:

Collins, P. M., et al. Gentle, fast and effective crystal soaking by acoustic dispensing. Acta Cryst D, 73, 246-255 (2017). https://doi.org/10.1107/S205979831700331X

Fragment Libraries:

Cox, O. B., et al. A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci., 7, 2322-2330 (2016). https://doi.org/10.1039/C5SC03115J 

Wood, D. J., et al. FragLites - Minimal, Halogenated Fragments Displaying Pharmacophore Doublets.  An Efficient Approach to Druggability Assessment and Hit Generation. J. Med. Chem., 62 (7), 3741-3752 (2019). https://doi.org/10.1021/acs.jmedchem.9b00304

Shifter Crystal Harvesting:

Wright, N. D., et al. The Low-Cost, Semi-automated Shifter Microscope Stage Transforms Speed and Robustness of Manual Protein Crystal Harvesting. https://doi.org/10.1101/2019.12.20.875674

XChem Explorer:

Krojer, T., et al. The XChem Explorer graphical workflow tool for routine or large-scale protein-ligand structure determination. Acta Cryst D, 73, 267-278 (2017). https://doi.org/10.1107/S2059798316020234

PanDDA:

Pearce, N., et al. Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites. Structural Dynamics, 4, 032104 (2017). https://doi.org/10.1063/1.4974176

Pearce, N., et al. A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat. Commun., 8, 15123 (2017). https://doi.org/10.1038/ncomms15123