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Publications

2015 June 15

Steroid hydroxylation by basidiomycete peroxygenases: a combined experimental and computational study

https://doi.org/10.1128/aem.00660-15

2015 May 15

Basidiomycete DyPs: Genomic diversity, structural-functional aspects, reaction mechanism and environmental significance

https://doi.org/10.1016/j.abb.2015.01.018

2015 April 29

Improving the oxidative stability of a high redox potential fungal peroxidase by rational design

https://doi.org/10.1371/journal.pone.0124750

2015 April 16

Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy

https://doi.org/10.1021/acs.jpclett.5b00225

2015 March 1

Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study

https://doi.org/10.1042/bj20141211

2015 January 6

Unveiling prolyl oligopeptidase ligand migration by comprehensive computational techniques

https://doi.org/10.1016/j.bpj.2014.11.3453

2014 December 1

Structural implications of the C-terminal tail in the catalytic and stability properties of manganese peroxidases from ligninolytic fungi

https://doi.org/10.1107/s1399004714022755

2014 January 21

Atomic level rendering of DNA-drug encounter

https://doi.org/10.1016/j.bpj.2013.11.4494

2014 January 14

Monte Carlo Free Ligand Diffusion with Markov State Model Analysis and Absolute Binding Free Energy Calculations

https://doi.org/10.1021/ct400678g

2012 March 13

Exploration of Protein Conformational Change with PELE and Meta-Dynamics

https://doi.org/10.1021/ct200675g

Filter all publications by keyword

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

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