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Publications in Theoretical Chemistry

Expanding the Chiral Pool: Oxidation of Meta-Bromobenzoic Acid by R. Eutrophus B9 Allows Access to New Reaction Manifolds

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2011English

Palladium-Catalyzed, Pyrrolidine-Mediated Arylmethylation of Ketones and Aldehydes With Coumarinyl(methyl) Acetates

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2012English

Tetrahydrofuranyl and Tetrahydropyranyl Protection of Amino Acid Side-Chains Enables Synthesis of a Hydroxamate-Containing Aminoacylated tRNA

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2015English

Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite Λ Dynamics

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2017English

Cooperative Hydrolysis of Aryl Esters on Functionalized Membrane Surfaces and in Micellar Solutions

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2014English

A Study of the Α-Helical Intermediate Preceding the Aggregation of the Amino-Terminal Fragment of the Β Amyloid Peptide (Aβ1–28)

Journal of Physical Chemistry B
SurfacesTheoretical ChemistryMaterials ChemistryFilmsMedicineCoatingsPhysical
2011English

First Synthesis of Antitumoral Dasyscyphin B

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2013English

An Ortho C-Methylation/O-Glycosylation Motif on a Hydroxy-Coumarin Scaffold, Selectively Installed by Biocatalysis

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2017English

A Systematic Exploration of the Effects of Flexibility and Basicity on Sigma (Σ) Receptor Binding in a Series of Substituted Diamines

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2016English

Evaluation of Bicinchoninic Acid as a Ligand for Copper(i)-Catalyzed Azide–alkyne Bioconjugations

Organic and Biomolecular Chemistry
Organic ChemistryTheoretical ChemistryBiochemistryPhysical
2012English

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