Therese Malliavin
Therese Malliavin
Laboratoire de Physique et Chimie Théoriques
Verified email at - Homepage
Cited by
Cited by
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
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
Maximum entropy processing of DOSY NMR spectra
MA Delsuc, TE Malliavin
Analytical Chemistry 70 (10), 2146-2148, 1998
Structural biology by NMR: structure, dynamics, and interactions
PRL Markwick, T Malliavin, M Nilges
PLoS computational biology 4 (9), e1000168, 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
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
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
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
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
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
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
ARIA for solution and solid-state NMR
B Bardiaux, T Malliavin, M Nilges
Protein NMR techniques, 453-483, 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
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
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
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
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
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
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
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
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