Latest papers

Understanding the origins of bacterial resistance to aminoglycosides through molecular dynamics mutational study of the ribosomal A-site.

Facile construction of nanofibers as a functional template for surface boron coordination reaction. LID - 10.1002/smll.201002097 [doi]

Low-temperature NMR studies on inosine wobble base pairs.

Comparative analysis of receptor binding by chicken and human interleukin-1beta.

Mechanistic investigation of the base-promoted cycloselenoetherification of pent-4-en-1-ol.

Molecular dynamics study of solvation effect on diffusivity changes of DNA fragments.

On the molecular mechanisms of the acid-induced dissociation of hydroxy-apatite in water.

Structural characterization of a group II 2/2 hemoglobin from the plant pathogen Agrobacterium tumefaciens.

How many hydrogen-bonded alpha-turns are possible?

Electronic structure and conformational properties of 1H-indole-3-acetic acid.

Factors controlling the reactivity of zinc finger cores.

Encapsulation of conventional and unconventional water dimers by water-binding foldamers.

15N solid-state NMR as a probe of flavin H-bonding.

Disaccharide binding to galectin-1: free energy calculations and molecular recognition mechanism.

Systematic Examination of Polymorphism in Amyloid Fibrils by Molecular-Dynamics Simulation

Reaction pathways of proton transfer in hydrogen-bonded phenol-carboxylate complexes explored by combined UV-vis and NMR spectroscopy.

Competition for hydrogen-bond formation in the helix-coil transition and protein folding.

Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases.

Proton-coupled electron transfer reactions at a heme-propionate in an iron-protoporphyrin-IX model compound.

Mapping the reaction coordinates of enzymatic defluorination.