Publications

2016 July 1

Unveiling the basis of alkaline stability of an evolved versatile peroxidase

2016 May 23

Computational Prediction of HIV-1 Resistance to Protease Inhibitors

2016 May 17

Active-Site-Directed Inhibitors of Prolyl Oligopeptidase Abolish Its Conformational Dynamics

2016 April 19

Combined Use of Oligopeptides, Fragment Libraries, and Natural Compounds: A Comprehensive Approach To Sample the Druggability of Vascular Endothelial Growth Factor

2016 February 15

Synthesis of 1-Naphthol by a Natural Peroxygenase Engineered by Directed Evolution

2015 December 8

New Monte Carlo Based Technique To Study DNA-Ligand Interactions

2015 December 1

Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints

2015 December 1

A theoretical multiscale treatment of protein-protein electron transfer: The ferredoxin/ferredoxin-NADP(+) reductase and flavodoxin/ferredoxin-NADP(+) reductase systems

2015 September 10

Direct Measurement of the Nanomechanical Stability of a Redox Protein Active Site and Its Dependence upon Metal BindingDirect MeasurementoftheNanomechanicalStabilityof a Redox Protein Active Site and ItsDependenceupon Metal Binding

2015 August 1

Aromatic stacking interactions govern catalysis in aryl-alcohol oxidase

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Antibodies Antigens Docking Drug Repurposing Enzyme Directed Evolution Enzyme profiling Induced fit MD MM/QM Molecular Dynamics PELE PELE-DNA/RNA Peptides PPI RNA Software Development Target Profiling