| The molecular mechanism of the catalase reaction M Alfonso-Prieto, X Biarnés, P Vidossich, C Rovira Journal of the American Chemical Society 131 (33), 11751-11761, 2009 | 474 | 2009 |
| The Conformational Free Energy Landscape of β-d-Glucopyranose. Implications for Substrate Preactivation in β-Glucoside Hydrolases X Biarnés, A Ardevol, A Planas, C Rovira, A Laio, M Parrinello Journal of the American Chemical Society 129 (35), 10686-10693, 2007 | 245 | 2007 |
| Insights into the binding of Phenyltiocarbamide (PTC) agonist to its target human TAS2R38 bitter receptor X Biarnés, A Marchiori, A Giorgetti, C Lanzara, P Gasparini, P Carloni, ... PloS one 5 (8), e12394, 2010 | 129 | 2010 |
| Enzymatic production of defined chitosan oligomers with a specific pattern of acetylation using a combination of chitin oligosaccharide deacetylases SN Hamer, S Cord-Landwehr, X Biarnés, A Planas, H Waegeman, ... Scientific Reports 5 (1), 8716, 2015 | 126 | 2015 |
| Substrate distortion in the Michaelis complex of Bacillus 1, 3–1, 4-β-glucanase: Insight from first principles molecular dynamics simulations X Biarnés, J Nieto, A Planas, C Rovira Journal of Biological Chemistry 281 (3), 1432-1441, 2006 | 120 | 2006 |
| Structural basis of chitin oligosaccharide deacetylation E Andrés, D Albesa‐Jové, X Biarnés, BM Moerschbacher, ME Guerin, ... Angewandte Chemie 126 (27), 7002-7007, 2014 | 116 | 2014 |
| Chitin deacetylases: Structures, specificities, and biotech applications L Grifoll-Romero, S Pascual, H Aragunde, X Biarnés, A Planas Polymers 10 (4), 352, 2018 | 110 | 2018 |
| Catalytic itinerary in 1, 3-1, 4-β-glucanase unraveled by QM/MM metadynamics. Charge is not yet fully developed at the oxocarbenium ion-like transition state X Biarnés, A Ardèvol, J Iglesias-Fernández, A Planas, C Rovira Journal of the American Chemical Society 133 (50), 20301-20309, 2011 | 108 | 2011 |
| METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations X Biarnés, F Pietrucci, F Marinelli, A Laio Computer Physics Communications 183 (1), 203-211, 2012 | 98 | 2012 |
| Multidimensional view of amyloid fibril nucleation in atomistic detail F Baftizadeh, X Biarnes, F Pietrucci, F Affinito, A Laio Journal of the American Chemical Society 134 (8), 3886-3894, 2012 | 93 | 2012 |
| Substrate recognition and specificity of chitin deacetylases and related family 4 carbohydrate esterases H Aragunde, X Biarnés, A Planas International journal of molecular sciences 19 (2), 412, 2018 | 70 | 2018 |
| The Conformational Free-Energy Landscape of β-d-Mannopyranose: Evidence for a 1S5 → B2,5 → OS2 Catalytic Itinerary in β-Mannosidases A Ardèvol, X Biarnés, A Planas, C Rovira Journal of the American Chemical Society 132 (45), 16058-16065, 2010 | 65 | 2010 |
| Nucleation process of a fibril precursor in the C-terminal segment of amyloid-β F Baftizadeh, F Pietrucci, X Biarnés, A Laio Physical review letters 110 (16), 168103, 2013 | 62 | 2013 |
| Discovery of a class of diketopiperazines as antiprion compounds ML Bolognesi, HN Ai Tran, M Staderini, A Monaco, A López‐Cobeñas, ... ChemMedChem 5 (8), 1324-1334, 2010 | 57 | 2010 |
| Molecular motions in drug design: the coming age of the metadynamics method X Biarnés, S Bongarzone, AV Vargiu, P Carloni, P Ruggerone Journal of computer-aided molecular design 25, 395-402, 2011 | 52 | 2011 |
| Next generation sequencing in nonsyndromic intellectual disability: from a negative molecular karyotype to a possible causative mutation detection E Athanasakis, D Licastro, F Faletra, A Fabretto, S Dipresa, D Vozzi, ... American Journal of Medical Genetics Part A 164 (1), 170-176, 2014 | 51 | 2014 |
| Molecular Design of Non-Leloir Furanose-Transferring Enzymes from an α-l-Arabinofuranosidase: A Rationale for the Engineering of Evolved Transglycosylases B Bissaro, J Durand, X Biarnés, A Planas, P Monsan, MJ O’Donohue, ... Acs Catalysis 5 (8), 4598-4611, 2015 | 48 | 2015 |
| Docking ligands on protein surfaces: The case study of prion protein A Kranjc, S Bongarzone, G Rossetti, X Biarnés, A Cavalli, ML Bolognesi, ... Journal of chemical theory and computation 5 (9), 2565-2573, 2009 | 48 | 2009 |
| A native ternary complex trapped in a crystal reveals the catalytic mechanism of a retaining glycosyltransferase D Albesa‐Jové, F Mendoza, A Rodrigo‐Unzueta, F Gomollón‐Bel, ... Angewandte Chemie International Edition 54 (34), 9898-9902, 2015 | 44 | 2015 |
| Structure− Energy Relations in Methylcobalamin with and without Bound Axial Base C Rovira, X Biarnés, K Kunc Inorganic chemistry 43 (21), 6628-6632, 2004 | 43 | 2004 |
