| # | Title | Journal | Year | Citations |
|---|
| 1 | Features and development of Coot | Acta Crystallographica Section D: Biological Crystallography | 2010 | 22,799 |
| 2 | Overview of theCCP4 suite and current developments | Acta Crystallographica Section D: Biological Crystallography | 2011 | 11,098 |
| 3 | REFMAC5 for the refinement of macromolecular crystal structures | Acta Crystallographica Section D: Biological Crystallography | 2011 | 7,247 |
| 4 | The formation, properties and impact of secondary organic aerosol: current and emerging issues | Atmospheric Chemistry and Physics | 2009 | 3,486 |
| 5 | The HITRAN 2008 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2009 | 3,129 |
| 6 | The HITRAN2012 molecular spectroscopic database | Journal of Quantitative Spectroscopy and Radiative Transfer | 2013 | 2,810 |
| 7 | A Novel Method for Measuring Antioxidant Capacity and its Application to Monitoring the Antioxidant Status in Premature Neonates | Clinical Science | 1993 | 2,511 |
| 8 | Structures and mechanisms of glycosyl hydrolases | Structure | 1995 | 1,803 |
| 9 | TheBuccaneersoftware for automated model building. 1. Tracing protein chains | Acta Crystallographica Section D: Biological Crystallography | 2006 | 1,725 |
| 10 | Carbohydrate-binding modules: fine-tuning polysaccharide recognition | Biochemical Journal | 2004 | 1,720 |
| 11 | Glycosyltransferases: Structures, Functions, and Mechanisms | Annual Review of Biochemistry | 2008 | 1,651 |
| 12 | A serine protease triad forms the catalytic centre of a triacylglycerol lipase | Nature | 1990 | 1,207 |
| 13 | REFMAC5 dictionary: organization of prior chemical knowledge and guidelines for its use | Acta Crystallographica Section D: Biological Crystallography | 2004 | 1,207 |
| 14 | High‐Tech Applications of Self‐Assembling Supramolecular Nanostructured Gel‐Phase Materials: From Regenerative Medicine to Electronic Devices | Angewandte Chemie - International Edition | 2008 | 1,171 |
| 15 | Presenting your structures: theCCP4mgmolecular-graphics software | Acta Crystallographica Section D: Biological Crystallography | 2011 | 1,133 |
| 16 | A model for interfacial activation in lipases from the structure of a fungal lipase-inhibitor complex | Nature | 1991 | 1,127 |
| 17 | A graphical user interface to theCCP4 program suite | Acta Crystallographica Section D: Biological Crystallography | 2003 | 1,099 |
| 18 | An Evolving Hierarchical Family Classification for Glycosyltransferases | Journal of Molecular Biology | 2003 | 1,079 |
| 19 | Broad and strong memory CD4+ and CD8+ T cells induced by SARS-CoV-2 in UK convalescent individuals following COVID-19 | Nature Immunology | 2020 | 1,066 |
| 20 | Evaluation of comparative protein modeling by MODELLER | Proteins: Structure, Function and Bioinformatics | 1995 | 1,035 |
| 21 | Sustainable carbon materials | Chemical Society Reviews | 2015 | 997 |
| 22 | DeerAnalysis2006—a comprehensive software package for analyzing pulsed ELDOR data | Applied Magnetic Resonance | 2006 | 941 |
| 23 | Nomenclature for sugar-binding subsites in glycosyl hydrolases | Biochemical Journal | 1997 | 934 |
| 24 | AAA+superfamily ATPases: common structure-diverse function | Genes To Cells | 2001 | 864 |
| 25 | Insights into the oxidative degradation of cellulose by a copper metalloenzyme that exploits biomass components | Proceedings of the National Academy of Sciences of the United States of America | 2011 | 861 |
| 26 | Tools and techniques for solvent selection: green solvent selection guides | Sustainable Chemical Processes | 2016 | 837 |
| 27 | Condition-Dependent Transcriptome Reveals High-Level Regulatory Architecture in Bacillus subtilis | Science | 2012 | 809 |
| 28 | Reversible Interactions with para-Hydrogen Enhance NMR Sensitivity by Polarization Transfer | Science | 2009 | 761 |
| 29 | A classification of nucleotide-diphospho-sugar glycosyltransferases based on amino acid sequence similarities | Biochemical Journal | 1997 | 722 |
| 30 | Twenty years on: the impact of fragments on drug discovery | Nature Reviews Drug Discovery | 2016 | 711 |
| 31 | An approach to multi-copy search in molecular replacement | Acta Crystallographica Section D: Biological Crystallography | 2000 | 643 |
| 32 | Applying low-molecular weight supramolecular gelators in an environmental setting – self-assembled gels as smart materials for pollutant removal | Chemical Society Reviews | 2016 | 630 |
| 33 | Emergence of Palladium(IV) Chemistry in Synthesis and Catalysis | Chemical Reviews | 2010 | 599 |
| 34 | Halogens and their role in polar boundary-layer ozone depletion | Atmospheric Chemistry and Physics | 2007 | 593 |
| 35 | A potent mechanism-inspired O-GlcNAcase inhibitor that blocks phosphorylation of tau in vivo | Nature Chemical Biology | 2008 | 576 |
| 36 | Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions | Journal of Physical Chemistry A | 2013 | 549 |
| 37 | Sustainable metal-based catalysts for the synthesis of cyclic carbonates containing five-membered rings | Green Chemistry | 2015 | 549 |
| 38 | The σ-CAM Mechanism: σ Complexes as the Basis of σ-Bond Metathesis at Late-Transition-Metal Centers | Angewandte Chemie - International Edition | 2007 | 534 |
| 39 | Supramolecular materials | Chemical Society Reviews | 2017 | 530 |
| 40 | THE STEREOCHEMICAL MECHANISM OF THE COOPERATIVE EFFECTS IN HEMOGLOBIN REVISITED | Annual Review of Biophysics and Biomolecular Structure | 1998 | 521 |
| 41 | Glycosaminoglycans Interact Selectively with Chemokines and Modulate Receptor Binding and Cellular Responses | Biochemistry | 1999 | 521 |
| 42 | Developments in theCCP4 molecular-graphics project | Acta Crystallographica Section D: Biological Crystallography | 2004 | 516 |
| 43 | Structure-reactivity correlations in MgAl hydrotalcite catalysts for biodiesel synthesis | Applied Catalysis A: General | 2005 | 512 |
| 44 | High-resolution (1.5 Å) crystal structure of phospholipase C from Bacillus cereus | Nature | 1989 | 484 |
| 45 | Atmospheric Chemistry of Iodine | Chemical Reviews | 2012 | 482 |
| 46 | Transition Metal Alkane Complexes† | Chemical Reviews | 1996 | 481 |
| 47 | Lignocellulose degradation mechanisms across the Tree of Life | Current Opinion in Chemical Biology | 2015 | 478 |
| 48 | Coverage bias in the HadCRUT4 temperature series and its impact on recent temperature trends | Quarterly Journal of the Royal Meteorological Society | 2014 | 477 |
| 49 | Glycosaminoglycans Mediate Cell Surface Oligomerization of Chemokines | Biochemistry | 1997 | 473 |
| 50 | Penicillin acylase has a single-amino-acid catalytic centre | Nature | 1995 | 468 |
