Modeling the miniscule: High-resolution design of nanoscale biomolecules
(PhysOrg.com) -- A key element of both biotechnology and nanotechnology is – perhaps unsurprisingly – computational modeling. Frequently, in silico nanostructure design and simulation precedes actual experimentation. Moreover, the ability to use modeling to predict biomolecular structure lays the foundation for the subsequent design of biomolecules. Historically, the problem has been that most modeling software presents a tradeoff between being general purpose (in being able to model systems at high/atomic resolution) but limited in scope (i.e., only explores a small fraction conformational space around the initial structure). Recently, however, Stanford University scientists have developed an algorithm – implemented in a modeling program known as MOSAICS (Methodologies for Optimization and SAmpling In Computational Studies) – that achieves nanoscale modeling at the resolution required without being limited by the scope/size dilemma. In addition, the researchers successfully modeled – and benchmarked the new computation modeling technique with – RNA-based nanostructures.