ARIA2: automated NOE assignment and data integration in NMR structure calculation W Rieping, M Habeck, B Bardiaux, A Bernard, TE Malliavin, M Nilges Bioinformatics 23 (3), 381-382, 2007 | 602 | 2007 |
Gifa V. 4: a complete package for NMR data set processing JL Pons, TE Malliavin, MA Delsuc Journal of biomolecular NMR 8, 445-452, 1996 | 266 | 1996 |
Maximum entropy processing of DOSY NMR spectra MA Delsuc, TE Malliavin Analytical Chemistry 70 (10), 2146-2148, 1998 | 218 | 1998 |
Structural biology by NMR: structure, dynamics, and interactions PRL Markwick, T Malliavin, M Nilges PLoS computational biology 4 (9), e1000168, 2008 | 204 | 2008 |
3D structure determination of the Crh protein from highly ambiguous solid-state NMR restraints A Loquet, B Bardiaux, C Gardiennet, C Blanchet, M Baldus, M Nilges, ... Journal of the American Chemical Society 130 (11), 3579-3589, 2008 | 164 | 2008 |
Genomic insights into the 2016–2017 cholera epidemic in Yemen FX Weill, D Domman, E Njamkepo, AA Almesbahi, M Naji, SS Nasher, ... Nature 565 (7738), 230-233, 2019 | 162 | 2019 |
Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects I Cortés-Ciriano, QU Ain, V Subramanian, EB Lenselink, O Méndez-Lucio, ... MedChemComm 6 (1), 24-50, 2015 | 126 | 2015 |
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel I Cortes-Ciriano, GJP Van Westen, G Bouvier, M Nilges, JP Overington, ... Bioinformatics 32 (1), 85-95, 2016 | 121 | 2016 |
Blind testing of routine, fully automated determination of protein structures from NMR data A Rosato, JM Aramini, C Arrowsmith, A Bagaria, D Baker, A Cavalli, ... Structure 20 (2), 227-236, 2012 | 85 | 2012 |
Use of allostery to identify inhibitors of calmodulin-induced activation of Bacillus anthracis edema factor E Laine, C Goncalves, JC Karst, A Lesnard, S Rault, WJ Tang, ... Proceedings of the National Academy of Sciences 107 (25), 11277-11282, 2010 | 80 | 2010 |
CASD-NMR: critical assessment of automated structure determination by NMR A Rosato, A Bagaria, D Baker, B Bardiaux, A Cavalli, JF Doreleijers, ... Nature methods 6 (9), 625-626, 2009 | 73 | 2009 |
ARIA for solution and solid-state NMR B Bardiaux, T Malliavin, M Nilges Protein NMR techniques, 453-483, 2012 | 70 | 2012 |
Accurate NMR structures through minimization of an extended hybrid energy M Nilges, A Bernard, B Bardiaux, T Malliavin, M Habeck, W Rieping Structure 16 (9), 1305-1312, 2008 | 70 | 2008 |
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints A Cassioli, B Bardiaux, G Bouvier, A Mucherino, R Alves, L Liberti, ... BMC bioinformatics 16, 1-15, 2015 | 60 | 2015 |
Stability of the I-motif structure is related to the interactions between phosphodiester backbones TE Malliavin, J Gau, K Snoussi, JL Leroy Biophysical journal 84 (6), 3838-3847, 2003 | 56 | 2003 |
Proteochemometric modeling in a Bayesian framework I Cortes-Ciriano, GJP van Westen, EB Lenselink, DS Murrell, A Bender, ... Journal of Cheminformatics 6, 1-16, 2014 | 50 | 2014 |
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules DS Murrell, I Cortes-Ciriano, GJP Van Westen, IP Stott, A Bender, ... Journal of cheminformatics 7, 1-10, 2015 | 47 | 2015 |
Refined solution structure and backbone dynamics of 15N-labeled C12A-p8MTCP studied by NMR relaxation P Barthe, L Chiche, N Declerck, MA Delsuc, JF Lefèvre, T Malliavin, ... Journal of biomolecular NMR 15, 271-288, 1999 | 42 | 1999 |
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling I Cortes-Ciriano, DS Murrell, GJP van Westen, A Bender, TE Malliavin Journal of cheminformatics 7, 1-18, 2015 | 41 | 2015 |
Improved reliability, accuracy and quality in automated NMR structure calculation with ARIA F Mareuil, TE Malliavin, M Nilges, B Bardiaux Journal of biomolecular NMR 62, 425-438, 2015 | 41 | 2015 |