| A Dynamic and Responsive Host in Action: Light‐Controlled Molecular Encapsulation STJ Ryan, J Del Barrio, R Suardíaz, DF Ryan, E Rosta, OA Scherman Angewandte Chemie International Edition 55 (52), 16096-16100, 2016 | 58 | 2016 |
| Biocatalytic routes to lactone monomers for polymer production HL Messiha, ST Ahmed, V Karuppiah, R Suardíaz, GA Ascue Avalos, ... Biochemistry 57 (13), 1997-2008, 2018 | 44 | 2018 |
| Influence of density functionals and basis sets on one-bond carbon− carbon NMR spin− spin coupling constants R Suardíaz, C Pérez, R Crespo-Otero, JM García de la Vega, JS Fabián Journal of chemical theory and computation 4 (3), 448-456, 2008 | 44 | 2008 |
| Structural characterization of arginine fingers: identification of an arginine finger for the pyrophosphatase dUTPases GN Nagy, R Suardíaz, A Lopata, O Ozohanics, K Vékey, BR Brooks, ... Journal of the American Chemical Society 138 (45), 15035-15045, 2016 | 43 | 2016 |
| Unraveling how enzymes can use bulky residues to drive site-selective C–H activation: The case of mammalian lipoxygenases catalyzing arachidonic acid oxidation P Saura, R Suardíaz, L Masgrau, JM Lluch, A Gonzalez-Lafont ACS Catalysis 4 (12), 4351-4363, 2014 | 43 | 2014 |
| Understanding the mechanism of the hydrogen abstraction from arachidonic acid catalyzed by the human enzyme 15-lipoxygenase-2. A quantum mechanics/molecular mechanics free … R Suardiaz, PG Jambrina, L Masgrau, A Gonzalez-Lafont, E Rosta, ... Journal of chemical theory and computation 12 (4), 2079-2090, 2016 | 35 | 2016 |
| Interactions between simple radicals and water R Crespo-Otero, E Sánchez-García, R Suardíaz, LA Montero, W Sander Chemical Physics 353 (1-3), 193-201, 2008 | 31 | 2008 |
| Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH J San Fabián, JM García De La Vega, R Suardíaz, M Fernández‐Oliva, ... Magnetic Resonance in Chemistry 51 (12), 775-787, 2013 | 25 | 2013 |
| An insight into the regiospecificity of linoleic acid peroxidation catalyzed by mammalian 15-lipoxygenases R Suardíaz, L Masgrau, JM Lluch, A Gonzalez-Lafont The Journal of Physical Chemistry B 117 (14), 3747-3754, 2013 | 22 | 2013 |
| Theoretical Karplus relationships for vicinal coupling constants around χ1 in Valine R Suardíaz, C Pérez, JMG de la Vega, J San Fabián, RH Contreras Chemical physics letters 442 (1-3), 119-123, 2007 | 22 | 2007 |
| Visualizing the protons in a metalloenzyme electron proton transfer pathway H Kwon, J Basran, JM Devos, R Suardíaz, MW Van Der Kamp, ... Proceedings of the National Academy of Sciences 117 (12), 6484-6490, 2020 | 21 | 2020 |
| On the unusual 2J coupling dependence on syn/anti CHO conformation in 5‐X‐furan‐2‐carboxaldehydes C Pérez, R Suardíaz, PJ Ortiz, R Crespo‐Otero, GM Bonetto, JA Gavín, ... Magnetic Resonance in Chemistry 46 (9), 846-850, 2008 | 20 | 2008 |
| Approximating correlation effects in multiconfigurational self-consistent field calculations of spin-spin coupling constants J San Fabián, E Díez, JM García de la Vega, R Suardíaz The Journal of chemical physics 128 (8), 2008 | 19 | 2008 |
| Understanding the molecular mechanism of the Ala-versus-Gly concept controlling the product specificity in reactions catalyzed by lipoxygenases: a combined molecular dynamics … P Saura, R Suardíaz, L Masgrau, A González-Lafont, E Rosta, JM Lluch ACS catalysis 7 (7), 4854-4866, 2017 | 17 | 2017 |
| NMR spin–spin coupling constants and hyperconjugative interactions RH Contreras, R Suardíaz, C Pérez, R Crespo‐Otero, J San Fabián, ... International Journal of Quantum Chemistry 110 (3), 532-539, 2010 | 16 | 2010 |
| Steric and Electronic Situation in the 4-X-4′-[(4′′-Y-Phenyl) ethynyl] biphenyl Homologous Series: A Joint Theoretical and Spectroscopic Study PD Ortiz, R Suardiaz, L De Vega, G Hennrich, PJ Ortiz The Journal of Physical Chemistry A 114 (8), 2939-2944, 2010 | 16 | 2010 |
| Studies on the regioselectivity of the Baeyer-Villiger reaction of 3-keto steroids: Conformational effects determine the migration aptitude DG Rivera, O Pando, R Suardiaz, F Coll steroids 72 (5), 466-473, 2007 | 15 | 2007 |
| Regio‐and Stereospecificity in the Oxygenation of Arachidonic Acid Catalyzed by Leu597 Mutants of Rabbit 15‐Lipoxygenase: A QM/MM Study R Suardíaz, L Masgrau, JM Lluch, À González‐Lafont ChemPhysChem 15 (11), 2303–2310, 2014 | 14 | 2014 |
| On the Regio‐and Stereospecificity of Arachidonic Acid Peroxidation Catalyzed by Mammalian 15‐Lypoxygenases: A Combined Molecular Dynamics and QM/MM Study R Suardíaz, L Masgrau, JM Lluch, À González‐Lafont ChemPhysChem 14 (16), 3777-3787, 2013 | 14 | 2013 |
| The role of conserved residues in the DEDDh motif: the proton-transfer mechanism of HIV-1 RNase H SL Dùrr, O Bohuszewicz, D Berta, R Suardiaz, PG Jambrina, C Peter, ... Acs Catalysis 11 (13), 7915-7927, 2021 | 13 | 2021 |
Carlos S. PerezProfessor of Physical Chemistry, Havana UniversityVerified email at fq.uh.cu
