Highlights with ‘pharma’

Modeling Ditopic ion-pair receptors with ADF and QUILD

While nucleobase quartets are known today for all natural nucleobases and combinations of these, no reports of anion-binding properties of natural nucleobase quartets are known. In a recent communication, Tushar van der Wijst, CĂ©lia Fonseca...

Modeling the hydrogen bonds, pi-stacking and solvent effects in DNA

In a recent paper in ChemComm, researchers in Spain and the Netherlands have used a combination of ADF features to unravel the factors behind the fidelity in chemical, template-assisted primer extension. The analyses therein, based...

Hydrogen bonds in guanine quartets: cooperative effects

The cooperative reinforcement between hydrogen bonds in Guanine quartets (G4) are not caused by resonance-assisted hydrogen bonding (RAHB). Extensive energy decomposition and Kohn-Sham MO and analyses by Fonseca Guerra (VU Amsterdam) et al. reveal that...