Recent advances in experimental DNA origami have dramatically expanded the horizon of
DNA nanotechnology. Complex 3D suprastructures have been designed and developed …

Background Protein-DNA binding often involves dramatic conformational changes such as
protein folding and DNA bending. While thermodynamic aspects of this behavior are …

Computational methods play a pivotal role in the early stages of small molecule drug
discovery and are widely applied in virtual screening, structure optimization, and compound …

46 In Silico Drug Discovery and Design and forces of molecules in a simulation. In general,
a potential energy function comprises bonded terms that describe the bond, valence angle …

Overcoming microbial resistance is a major challenge in the development of antibiotics.
Bacteria limit the effectiveness of antibiotics using three major mechanisms: extrusion of the …