HexServer: an FFT-based protein docking server powered by graphics processors G Macindoe, L Mavridis, V Venkatraman, MD Devignes, DW Ritchie Nucleic acids research 38 (suppl_2), W445-W449, 2010 | 753 | 2010 |
Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods V Venkatraman, VI Pérez-Nueno, L Mavridis, DW Ritchie Journal of chemical information and modeling 50 (12), 2079-2093, 2010 | 150 | 2010 |
Toward high throughput 3D virtual screening using spherical harmonic surface representations L Mavridis, BD Hudson, DW Ritchie Journal of chemical information and modeling 47 (5), 1787-1796, 2007 | 92 | 2007 |
PDB2CD: a web-based application for the generation of circular dichroism spectra from protein atomic coordinates L Mavridis, RW Janes Bioinformatics 33 (1), 56-63, 2017 | 91 | 2017 |
Drug design for CNS diseases: polypharmacological profiling of compounds using cheminformatic, 3D-QSAR and virtual screening methodologies K Nikolic, L Mavridis, T Djikic, J Vucicevic, D Agbaba, K Yelekci, ... Frontiers in neuroscience 10, 265, 2016 | 87 | 2016 |
PCDDB: new developments at the protein circular dichroism data bank L Whitmore, AJ Miles, L Mavridis, RW Janes, BA Wallace Nucleic Acids Research 45 (D1), D303-D307, 2017 | 64 | 2017 |
Fast Protein Structure Alignment using Gaussian Overlap Scoring of Backbone Peptide Fragment Similarity DW Ritchie, AW Ghoorah, L Mavridis, V Venkatraman Bioinformatics, 2012 | 51 | 2012 |
3D-blast: 3D protein structure alignment, comparison, and classification using spherical polar Fourier correlations L Mavridis, DW Ritchie Biocomputing 2010, 281-292, 2010 | 49 | 2010 |
Enzyme Informatics. RG Alderson, L De Ferrari, L Mavridis, JL McDonagh, JB Mitchell, N Nath Current topics in medicinal chemistry, 2012 | 37 | 2012 |
A random forest model for predicting allosteric and functional sites on proteins ASY Chen, NJ Westwood, P Brear, GW Rogers, L Mavridis, JBO Mitchell Molecular informatics 35 (3‐4), 125-135, 2016 | 33 | 2016 |
Detecting Drug Promiscuity using Gaussian Ensemble Screening VI Perez Nueno, V Venkatraman, L Mavridis, DW Ritchie Journal of Chemical Information and Modeling, 2012 | 30 | 2012 |
Predicting targets of compounds against neurological diseases using cheminformatic methodology K Nikolic, L Mavridis, OM Bautista-Aguilera, J Marco-Contelles, H Stark, ... Journal of computer-aided molecular design 29, 183-198, 2015 | 27 | 2015 |
SHREC'10 Track: Protein Models L Mavridis, V Venkatraman, D Ritchie, N Morikawa, R Andonov, A Cornu, ... Eurographics Workshop on 3D Object Retrieval-3DOR 2010, 2010 | 22 | 2010 |
PFClust: a novel parameter free clustering algorithm L Mavridis, N Nath, JBO Mitchell BMC bioinformatics 14, 1-21, 2013 | 21 | 2013 |
Recent trends and applications in 3D virtual screening L Ghemtio, V I Perez-Nueno, V Leroux, Y Asses, M Souchet, L Mavridis, ... Combinatorial Chemistry & High Throughput Screening 15 (9), 749-769, 2012 | 19 | 2012 |
PFClust: an optimised implementation of a parameter-free clustering algorithm K Musayeva, T Henderson, JBO Mitchell, L Mavridis Source code for biology and medicine 9, 1-4, 2014 | 16 | 2014 |
Using spherical harmonic surface property representations for ligand‐based virtual screening VI Pérez‐Nueno, V Venkatraman, L Mavridis, T Clark, DW Ritchie Molecular Informatics 30 (2‐3), 151-159, 2011 | 16 | 2011 |
DichroMatch at the protein circular dichroism data bank (DM@ PCDDB): a web‐based tool for identifying protein nearest neighbors using circular dichroism spectroscopy L Whitmore, L Mavridis, BA Wallace, RW Janes Protein Science 27 (1), 10-13, 2018 | 13 | 2018 |
Predicting the protein targets for athletic performance-enhancing substances L Mavridis, JBO Mitchell Journal of Cheminformatics 5, 1-13, 2013 | 9 | 2013 |
Predicting drug polypharmacology using a novel surface property similarity-based approach VI Perez-Nueno, V Venkatraman, L Mavridis, DW Ritchie Journal of Cheminformatics 3, 1-1, 2011 | 9 | 2011 |