66. Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB
Bournez, C. ; Carles, F. ; Peyrat, G. ; Aci-Sèche, S. ; Bourg, S. ; Meyer, C. ; Bonnet, P.
Molecules 2020, 25, 3226. https://doi.org/10.3390/molecules25143226
65. Fr-PPIChem: An academic compound library dedicated to protein–protein interactions
Bosc, N. ; Muller, C. ; Hoffer, L. ; Lagorce, D. ; Bourg, S. ; Derviaux, C. ; Gourdel, M.-E. ; Rain, J.-C. ; Miller, T. W. ; Villoutreix, B. O. ; Miteva, M. A. ; Bonnet, P. ; Morelli, X. ; Sperandio, O. ; Roche, P.
ACS Chem. Biol. 2020, 15, 1566–1574. https://doi.org/10.1021/acschembio.0c00179
64. Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency
Ibrahim, N. ; Bonnet, P. ; Brion, J.-D. ; Peyrat, J.-F. ; Brignon, J. ; Levaique, H. ; Josselin, B. ; Robert, T. ; Colas, P. ; Bach, S. ; Messaoudi, S. ; Alami, M. ; Hamze
Eur. J. Med. Chem. 2020, 199, 112355. https://doi.org/10.1016/j.ejmech.2020.112355
63. Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites
Fogha, J. ; Diharce, J. ; Obled, A. ; Aci-Sèche, S. ; Bonnet, P.
ACS Omega 2020, 5, 2114-2122. https://doi.org/10.1021/acsomega.9b02697
62. VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening
Gally, J.-M. ; Bourg, S. ; Fogha, J. ; Do Q.T. ; Aci-Sèche, S. ; Bonnet, P.
Current Medicinal Chemistry 2020, in press https://doi.org/10.2174/0929867326666190614160451
61. Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach
Raimbault, A. ; Ma, C.M.A. ; Ferri, M. ; Bäurer, S. ; Bonnet, P. ; Bourg, S. ; Lämmerhofer, M. ; West, C.
Journal of Chromatography A. 2020, 1612, 460689. https://doi.org/10.1016/j.chroma.2019.460689
60. Residence time prediction of type 1 and 2 kinase inhibitors from unbinding simulations
Braka, A. ; Garnier, N. ; Bonnet, P. ; Aci-Sèche, S.
Journal of Chemical Information and Modeling 2020, 60, 342-348. https ://doi.org/10.1021/acs.jcim.9b00497
59. LIM kinases, new therapeutic targets to treat cancers, neurological disorders and Neurofibromatosis: development of small molecule inhibitors
Vallee, B. ; Cosson, A. ; Doudeau, M. ; Godin, F. ; Champire, A. ; Lelievre, T. ; Ple, K. ; Braka, A. ; Aci-Seche, S. ; Garnier, N. ; Bonnet, P. ; Routier, S. ; Benedetti H.
Febs. Open Bio 2019, 9, 128.
58. In silico peptide ligation: iterative residue docking and linking as a new approach to predict protein-peptide interactions
Diharce, J. ; Cueto, M. ; Beltramo, M. ; Aucagne, V. ; Bonnet, P.
Molecules 2019, 24, 1351. https://doi.org/10.3390/molecules24071351
57. Development of novel and efficient processes for the synthesis of 5-amino and 5-iminoimidazo[1,2-a]imidazoles via three-component reaction catalyzed by zirconium(IV) chloride
Driowya, M. ; Guillot, R. ; Bonnet, P. ; Guillaumet, G.
Frontiers in Chemistry 2019, 7, 457-465. https://doi.org/10.3389/fchem.2019.00457
56. Hyphenation of ultra-high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 2. Study of chromatographic and mass spectrometry parameters for the analysis of natural non-polar compounds
Duval, J. ; Colas, C. ; Bonnet, P. ; Lesellier, E.
Journal of Chromatography A. 2019, 1596, 199-208. https://doi.org/10.1016/j.chroma.2017.06.016
55. An original class of small sized molecules as versatile fluorescent probes for cellular imaging
Sirbu, D. ; Diharce, J. ; Martinić, I. ; Chopin, N. ; Eliseeva, S. ; Guillaumet, G. ; Petoud, S. ; Bonnet, P. ; Suzenet, F.
Chemical Communications 2019, 54, 7776-7779. https://doi.org/10.1039/c9cc03765a
54. PKIDB: A curated, annotated and updated database of protein kinase inhibitors in clinical trials
Carles, F. ; Bourg, S. ; Meyer, C. ; Bonnet, P.
Molecules 2018, 23, 908. https://doi.org/10.3390/molecules23040908
53. Development of kinase inhibitors via metal-catalyzed C–H arylation of 8-alkyl-thiazolo[5,4-f ]-quinazolin-9-ones designed by fragment-growing studies
Couly, F. ; Harari, M. ; Dubouilh-Benard, C. ; Bailly, L. ; Petit, E. ; Diharce, J. ; Bonnet, P. ; Meijer, L. ; Fruit, C. ; Besson, T.
Molecules 2018, 23, 2181. https://doi.org/10.3390/molecules23092181
52. Synthesis of novel series of 7,7′-(substituted methylene)bis-imidazo[1,2-b]pyrazoles via an acid catalyzed one-pot three-component reaction
Driowya, M. ; Allouchi, H. ; Gally, J.-M. ; Bonnet, P. ; Guillaumet, G.
New Journal of Chemistry 2018, 42, 5728-5741. https://doi.org/10.1039/C7NJ05088G
51. Thermodynamic enantioseparation behavior of phenylthiohydantoin-amino acid derivatives in supercritical fluid chromatography on polysaccharide chiral stationary phases
Khater, S. ; Canault, B. ; Azzimani, T. ; Bonnet, P. ; West, C.
Journal of Separation Science 2018, 41, 1450-1459. https://doi.org/10.1002/jssc.201701196
50. Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors
Oyallon, B. ; Brachet-Botineau, M. ; Logé, C. ; Bonnet, P. ; Souab, M. ; Robert, T. ; Ruchaud, S. ; Bach, S. ; Berthelot, P. ; Gouilleux, F. ; Viaud-Massuard, M. C. ; Denevault-Sabourin, C.
European Journal of Medicinal Chemistry 2018, 154, 101-109. https://doi.org/10.1016/j.ejmech.2018.04.056
49. Enhanced molecular dynamics methods applied to drug design projects
Ziada, S. ; Braka, A. ; Diharce, J. ; Aci-Sèche, S. ; Bonnet, P.
Methods in Molecular biology 2018, 1762, 403-426. https://doi.org/10.1007/978-1-4939-7756-7_20
48. Conception of DYRK1A kinase inhibitors via metal-catalyzed C–H arylation, inspired by fragment-growing studies
Couly, F. ; Diharce, J. ; Bonnet, P. ; Meijer, L. ; Fruit, C. ; Besson, T.
Proceedings of the 4th International Electronic Conference on Medicinal Chemistry session ECMC-4 2018. https://doi.org/10.3390/ecmc-4-05580
47. PrePeP – A tool for the identification and characterization of pan assay interference compounds
Koptelov, M. ; Zimmermann, A. ; Bonnet, P. ; Bureau, R. ; Crémilleux, B.
Proceedings of the 24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining 2018, 462-471.
46. The use of novel selectivity metrics in kinase research
Bosc, N. ; Meyer, C. ; Bonnet, P.
BMC Bioinformatics 2017, 18, 17. https://doi.org/10.1186/s12859-016-1413-y
45. Prediction of protein kinase-ligand interactions through 2.5D kinochemometrics
Bosc, N. ; Wroblowski, B. ; Meyer, C. ; Bonnet, P.
Journal of Chemical Information and Modeling 2017, 57, 93-101. https://doi.org/10.1021/acs.jcim.6b00520
44. Comprehensive Network Map of ADME-Tox Databases
Canault, B. ; Bourg, S. ; Vayer, P. ; Bonnet, P.
Molecular Informatics 2017, 36, 1700029. https://doi.org/10.1002/minf.201700029
43. VSPrep: A general KNIME workflow for the preparation of molecules for virtual screening
Gally, J.-M. ; Bourg, S. ; Do Q.T. ; Aci-Sèche, S. ; Bonnet, P.
Molecular Informatics 2017, 36, 1700023. https://doi.org/10.1002/minf.201700023
42. Enantioseparation of novel chiral sulfoxides on chlorinated polysaccharide stationary phases in supercritical fluid chromatography
West, C. ; Konjaria, M. L. ; Shashviashvili, N. ; Lemasson, E. ; Bonnet, P. ; Kakava, R. ; Volonterio, A. ; Chankvetadze, B.
Journal of Chromatography A. 2017, 1499, 174-182. https://doi.org/10.1016/j.chroma.2017.03.089
41. Advanced molecular dynamics simulation methods for kinase drug discovery
Aci-Sèche, S. ; Ziada, S. ; Braka, A. ; Arora, R. ; Bonnet, P.
Future Medicinal Chemistry 2016, 8, 545-566. https://doi.org/10.4155/fmc.16.9
40. Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA
Albesa-Jove, D. ; Svetlikova, Z. ; Tersa, M. ; Sancho-Vaello, E. ; Carreras-Gonzalez, A. ; Bonnet, P. ; Arrasate, P. ; Eguskiza, A. ; Angala, S. K. ; Cifuente, J. O. ; Kordulakova, J. ; Jackson, M. ; Mikusova, K. ; Guerin, M. E.
Nature Communications 2016, 7, 10906. https://doi.org/10.1038/ncomms10906
39. Correction to structural investigation of B-Raf paradox breaker and inducer inhibitors
Arora, R. ; Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Martens, L. ; Gevaert, K. ; Van Heerde, E. ; Linders, J. T. M. ; Brehmer, D. ; Jacoby, E. ; Bonnet, P.
Journal of Medicinal Chemistry 2016, 59, 6973. https://doi.org/10.1021/acs.jmedchem.6b00941
38. An unusual binding model of the methyl 9-anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) confers high selectivity for dual-specificity tyrosine phosphorylation-regulated kinases
Chaikuad, A. ; Diharce, J. ; Schroder, M. ; Foucourt, A. ; Leblond, B. ; Casagrande, A. S. ; Desire, L. ; Bonnet, P. ; Knapp, S. ; Besson, T.
Journal of Medicinal Chemistry 2016, 59, 10315–10321. https://doi.org/10.1021/acs.jmedchem.6b01083
37. Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors
Ouach, A. ; Boulahjar, R. ; Vala, C. ; Bourg, S. ; Bonnet, P. ; Guguen-Guillouzo, C. ; Ravache, M. ; Le Guével, R. ; Lozach, O. ; Lazar, S. ; Troin, Y. ; Meijer, L. ; Ruchaud, S. ; Akssira, M. ; Guillaumet, G. ; Routier, S.
European Journal of Medicinal Chemistry 2016, 115, 311-325. https://doi.org/10.1016/j.ejmech.2016.02.072
35. Structural investigation of B-raf paradox breaker and inducer inhibitors
Arora, R. ; Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Martens, L. ; Gevaert, K. ; Van Heerde, E. ; Linders, J. T. M. ; Brehmer, D. ; Jacoby, E. ; Bonnet, P.
Journal of Medicinal Chemistry 2015, 58, 1818-1831. https://doi.org/10.1021/jm501667n
34. A proteometric analysis of human kinome: insight into discriminant conformation-dependent residues
Bosc, N. ; Wroblowski, B. ; Aci-Sèche, S. ; Meyer, C. ; Bonnet, P.
ACS Chemical Biology 2015, 10, 2827-2840. https://doi.org/10.1021/acschembio.5b00555
33. Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors
Boulahjar, R. ; Ouach, A. ; Bourg, S. ; Bonnet, P. ; Lozach, O. ; Meijer, L. ; Guguen-Guillouzo, C. ; Le Guével, R. ; Lazar, S. ; Akssira, M. ; Troin, Y. ; Guillaumet, G. ; Routier, S.
European Journal of Medicinal Chemistry 2015, 101, 274-287. https://doi.org/10.1016/j.ejmech.2015.06.046
32. Limited proteolysis combined with stable isotope labeling reveals conformational changes in protein (pseudo)kinases upon binding small molecules
Di Michele, M. ; Stes, E. ; Vandermarliere, E. ; Arora, R. ; Astorga-Wells, J. ; Vandenbussche, J. ; Van Heerde, E. ; Zubarev, R. ; Bonnet, P. ; Linders, J. T. M. ; Jacoby, E. ; Brehmer, D. ; Martens, L. ; Gevaert, K.
Journal of Proteome Research 2015, 14, 4179-4193. https://doi.org/10.1021/acs.jproteome.5b00282
31. Structure-based design of type II inhibitors applied to maternal embryonic leucine zipper kinase
Johnson, C. N. ; Adelinet, C. ; Berdini, V. ; Beke, L. ; Bonnet, P. ; Brehmer, D. ; Calo, F. ; Coyle, J. E. ; Day, P. J. ; Frederickson, M. ; Freyne, E. J. E. ; Gilissen, R. A. H. J. ; Hamlett, C. C. F. ; Howard, S. ; Meerpoel, L. ; Mevellec, L. ; McMenamin, R. ; Pasquier, E. ; Patel, S. ; Rees, D. C. ; Linders, J. T. M.
ACS Medicinal Chemistry Letters 2015, 6, 31-6. https://doi.org/10.1021/ml5001273
30. Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase
Johnson, C. N. ; Berdini, V. ; Beke, L. ; Bonnet, P. ; Brehmer, D. ; Coyle, J. E. ; Day, P. J. ; Frederickson, M. ; Freyne, E. J. E. ; Gilissen, R. A. H. J. ; Hamlett, C. C. F. ; Howard, S. ; Meerpoel, L. ; McMenamin, R. ; Patel, S. ; Rees, D. C. ; Sharff, A. ; Sommen, F. ; Wu, T. ; Linders, J. T. M.
ACS Medicinal Chemistry Letters 2015, 6, 25-30. https://doi.org/10.1021/ml5001245
29. Iron-catalyzed trifluoromethylation of enamide
Rey-Rodriguez, R. ; Retailleau, P. ; Bonnet, P. ; Gillaizeau, I.
Chemistry – A European Journal 2015, 21, 3572-3575. https://doi.org/10.1002/chem.201406333
28. Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase
Sari, O. ; Roy, V. ; Metifiot, M. ; Marchand, C. ; Pommier, Y. ; Bourg, S. ; Bonnet, P. ; Schinazi, R.F. ; Agrofoglio, L. A.
European of Journal Medicinal Chemistry 2015, 104, 127-138. https://doi.org/10.1016/j.ejmech.2015.09.015
27. Exploring protein kinase conformation using swarm-enhanced sampling molecular dynamics
Atzori, A. ; Bruce, N.J. ; Burusco, K.K. ; Wroblowski, B. ; Bonnet, P. ; Bryce, R. A.
Journal of Chemical Information and Modeling 2014, 54, 2764-2775. https://doi.org/10.1021/ci5003334
26. Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness
Cheray, M. ; Nadaradjane, A. ; Bonnet, P. ; Routier, S. ; Valette, F. M. ; Cartron, P. F.
Epigenomics 2014, 3, 267-275. https://doi.org/10.2217/epi.14.18
25. Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors
Dehbi, O. ; Tikad, A. ; Bourg, S. ; Bonnet, P. ; Lozach, O. ; Meijer, L. ; Aadil, M. ; Akssira, M. ; Guillaumet, G. ; Routier, S.
European Journal of Medicinal Chemistry 2014, 80, 352-363. https://doi.org/10.1016/j.ejmech.2014.04.055
24. The azaindole framework in the design of kinase inhibitors
Mérour, J. Y. ; Buron, F. ; Plé, K. ; Bonnet, P. ; Routier, S.
Molecules 2014, 19, 19935-19979. https://doi.org/10.3390/molecules191219935
23. Design, synthesis, and biological activity of pyridopyrimidine scaffolds as novel PI3K/mTOR dual inhibitors
Saurat, T. ; Buron, F. ; Rodrigues, N. ; De Tauzia, M. L. ; Colliandre, L. ; Bourg, S. ; Bonnet, P. ; Guillaumet, G. ; Akssira, M. ; Corlu, A. ; Guillouzo, C. ; Berthier, P. ; Rio, P. ; Jourdan, M.-L. ; Bénédetti, H. ; Routier, S.
Journal of Medicinal Chemistry 2014, 57, 613-631. https://doi.org/10.1021/jm401138v
22. Les chimiothèques et le criblage virtuel (Chemical databases and virtual screening)
Rognan, D. ; Bonnet, P.
Medecine Sciences 2014, 30, 1152-1160. https://doi.org/10.1051/medsci/20143012019
21. Discovery of JNJ-42756493, a potent fibroblast growth factor receptor (FGFR) inhibitor using a fragment based approach
Angibaud, P.R. ; Mevellec, L. ; Saxty, G. ; Adelinet, C. ; Akkari, R. ; Berdini, V. ; Bonnet, P. ; Bourgeois, M. ; Bourdrez, X. ; Cleasby, A. ; Colombel, H. ; Csoka, I. ; Embrechts, W. ; Freyne, E. ; Gilissen, R. ; Jovcheva, E. ; King, P. ; Lacrampe, J. ; Lardeau, D. ; Ligny, Y. ; Mcclue, S. ; Meerpoel, L. ; Newell, R.R. ; Page, M. ; Papanikos, A. ; Pasquier, E. ; Pilatte, E. ; Poncelet, V. ; Querolle, O. ; Rees, D.C. ; Rich, S. ; Roux, B. ; Sement, E. ; Simonnet, Y. ; Squires, M. ; Tronel, V. ; Verhulst, T. ; Vialard, J. ; Willems, M. ; Woodhead, S.J. ; Wroblowski, B. ; Murray, C.W. ; Perera, T.
Cancer Research 2014, 74, 4748. https://doi.org/10.1158/1538-7445.AM2014-4748
20. Effect of sequence and stereochemistry reversal on p53 peptide mimicry
Atzori, A. ; Baker, A. E. ; Chiu, M. ; Bryce, R. A. ; Bonnet, P.
PLoS ONE 2013, 8, e68723. https://doi.org/10.1371/journal.pone.0068723
19. New QSAR models for human cytochromes P450, 1A2, 2D6 and 3A4 implicated in the metabolism of drugs. relevance of dataset on model development
Martinez-Sanz, J. ; Bonnet, P. ; Lozano, S. ; Arrault, Al. ; Morin-Allory, L. ; Vayer, P.
Molecular Informatics 2013, 32, 573-577. https://doi.org/10.1002/minf.201300031
18. Diastereoselective Metal‐Catalyzed Synthesis of C‐Aryl and C‐Vinyl Glycosides
Nicolas, L. ; Angibaud, P. ; Stansfield, I. ; Bonnet, P. ; Meerpoel, L. ; Reymond, S. ; Cossy, J.
Angewandte Chemie International Edition 2012, 51, 11101-11104. https://doi.org/10.1002/anie.201204786
17. Two-Step One-Pot Synthesis of Benzoannulated Spiroacetals by Suzuki–Miyaura Coupling/Acid-Catalyzed Spiroacetalization
Butkevich, A.N. ; Corbu, A. ; Meerpoel, L. ; Stansfield, I. ; Angibaud, P. ; Bonnet, P. ; Cossy, J.
Organic Letters 2012, 14, 4998-5001. https://doi.org/10.1021/ol302088w
16. Is chemical synthetic accessibility computationally predictable for drug and lead-like molecules? A comparative assessment between medicinal and computational chemists
Bonnet, P.
European Journal of Medicinal Chemistry 2012, 54, 679-689. https://doi.org/10.1016/j.ejmech.2012.06.024
15. Targeting the inactive conformation of protein kinases: computational screening based on ligand conformation
Bonnet, P. ; Mucs, D. ; Bryce, R.A.
MedChemComm 2012, 3, 434-440. https://doi.org/10.1039/C1MD00256B
14. Application of shape-based and pharmacophore-based in silico screens for identification of Type II protein kinase inhibitors
Mucs, D. ; Bryce, R.A. ; Bonnet, P.
Journal of Computer-Aided Molecular Design 2011, 25, 569-581. https://doi.org/10.1007/s10822-011-9442-0
13. Fragment based drug discovery of selective inhibitors of fibroblast growth factor receptor (FGFR)
Saxty, G. ; Akkari, R. ; Angibaud, P. ; Arts, J. ; Benderitter, P. ; Berdini, V. ; Bonnet, P. ; Cleasby, A. ; Csoka, I. ; Embrechts, W. ; Freyne, E. ; Gilissen, R. ; King, P. ; Lacrampe, J. ; Lewis, E.J. ; Ligny, Y. ; Madin, A. ; McClue, S. ; Mevellec, L ; Murray, C.W. ; Newell, H. ; Page, M. ; Papanikos, A. ; Perera, T. ; Poncelet, V. ; Querolle, O. ; Rees, D.C. ; Rich, S.J. ; Roux, B. ; Saalau-Bethell, S.M. ; Sement, E. ; Simmonet, Y. ; Squires, M. ; Tronel, V. ; Ward, G.A. ; Willems, M. ; Wroblowski, B. ; Thompson, N.T.
Proceedings : 102nd AACR Annual Meeting, 2011, 2-6. https://doi.org/10.1158/1538-7445.AM2011-1361
12. Autophosphorylation of polo-like kinase 4 and its role in centriole duplication
Sillibourne, J.E. ; Tack, F. ; Vloemans, N. ; Boeckx, A. ; Thambirajah, S. ; Bonnet, P. ; Ramaekers, F. C. S. ; Bornens, M. ; Grand-Perret T.
Molecular Biology of the Cell 2010, 21, 547-561. https://doi.org/10.1091/mbc.E09-06-0505
11. Conformational analysis of macrocycles: finding what common search methods miss
Bonnet, P. ; Agrafiotis, D.K. ; Zhu, F. ; Martin, E.
Journal of Chemical Information and Modeling 2009, 49, 2242-2259. https://doi.org/10.1021/ci900238a
10. Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase
Neres, J. ; Bonnet, P. ; Edwards, P.N. ; Kotian, P.L. ; Buschiazzo, A. ; Alzari, P.M. ; Bryce, R.A. ; Douglas, K.T.
Bioorganic & Medicinal Chemistry 2007, 15, 2106-2119. https://doi.org/10.1016/j.bmc.2006.12.024
9. Exciplex fluorescence emission from simple organic intramolecular constructs in non-polar and highly polar media as model systems for DNA-assembled exciplex detectors
Bichenkova, E.V. ; Sardarian, A.R. ; Wilton, A.N. ; Bonnet, P. ; Bryce, R.A. ; Douglas, K.T.
Organic & Biomolecular Chemistry 2006, 4, 367-378. https://doi.org/10.1039/b511707k
8. Scoring binding affinity of multiple ligands using implicit solvent and a single molecular dynamics trajectory: application to influenza neuraminidase
Bonnet, P. ; Bryce, R.A.
Journal of Molecular Graphics and Modelling 2005, 24, 147-156. https://doi.org/10.1016/j.jmgm.2005.06.003
7. Molecular dynamics and free energy analysis of neuraminidase–ligand interactions
Bonnet, P. ; Bryce, R.A.
Protein Science 2004, 13, 946-957. https://doi.org/10.1110/ps.03129704
6. Study of the attachment of Na+ on glucose and on some of its methylated derivatives
Antonopoulos, A. ; Bonnet, P. ; Botek, E. ; Debrun, J. L. ; Hakim, B. ; Herbreteau, B. ; Morin-Allory,
Rapid Communications in Mass Spectrometry 2003, 17, 122-125. https://doi.org/10.1002/rcm.881
5. Molecular modeling study of the 2:1 γ-cyclodextrin : C60 complex. Dummy atoms simulating bond electron distribution
Bonnet, P. ; Beà, I. ; Jaime, C. ; Morin-Allory, L.
Supramolecular Chemistry 2003, 15, 251-260. https://doi.org/10.1080/1061027031000140176
4. Diastereomeric β-cyclodextrin complexes with cizorlitine and its carbinol. a molecular dynamics study
Beà, I. ; Jaime, C. ; Redondo, J. ; Bonnet, P. ; Torrens, A. ; Frigola, J.
Supramolecular Chemistry 2002, 14, 33-39. https://doi.org/10.1080/10610270290006637
3. Structure and thermodynamics of α-, β-, and γ-cyclodestrin dimers. Molecular dynamics studies of the solvent effect and free binding energies
Bonnet, P. ; Jaime, C. ; Morin-Allory, L.
The Journal of Organic Chemistry 2002, 67, 8602-8609. https://doi.org/10.1021/jo026166v
2. α-, β-,and γ-Cyclodextrin dimers. Molecular modeling studies by molecular mechanics and molecular dynamics simulations
Bonnet, P. ; Jaime, C. ; Morin-Allory, L.
The Journal of Organic Chemistry 2001, 66, 689-692. https://doi.org/10.1021/jo0008284
1. Etude par modélisation moléculaire de dimères de cyclodextrines et de leurs complexes d'inclusion
Bonnet, P.
Thèse en cotutelle Université d’Orléans et Universitat Autònoma de Barcelona, 1998-2001.
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