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
537 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
253 2007 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
136 2015 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
135 2010 Chitin deacetylases: Structures, specificities, and biotech applications L Grifoll-Romero, S Pascual, H Aragunde, X Biarnés, A Planas
Polymers 10 (4), 352, 2018
127 2018 Structural basis of chitin oligosaccharide deacetylation E Andrés, D Albesa‐Jové, X Biarnés, BM Moerschbacher, ME Guerin, ...
Angewandte Chemie 126 (27), 7002-7007, 2014
125 2014 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
124 2006 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
109 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
95 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
80 2018 The Conformational Free-Energy Landscape of β-d -Mannopyranose: Evidence for a 1 S5 → B2,5 → O S2 Catalytic Itinerary in β-Mannosidases A Ardèvol, X Biarnés, A Planas, C Rovira
Journal of the American Chemical Society 132 (45), 16058-16065, 2010
67 2010 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
64 2010 Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid- F Baftizadeh, F Pietrucci, X Biarnés, A Laio
Physical review letters 110 (16), 168103, 2013
63 2013 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
55 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
52 2014 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
49 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
48 2015 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 Structure− Energy Relations in Methylcobalamin with and without Bound Axial Base C Rovira, X Biarnés, K Kunc
Inorganic chemistry 43 (21), 6628-6632, 2004
45 2004 