Reliable modeling of RNA tertiary structures is key to both understanding these structures' roles in complex biological machines and to eventually facilitating their design for molecular computing and robotics. In recent years, a concerted effort to improve computational prediction of RNA structure through the RNA-Puzzles blind prediction trials has accelerated advances in the field. Among othe...

glycine, alanine and valine are taken as amino acids with an equal polar head and with thedifference in the length of hydrocarbon chains. the structural optimizations show the results of theisolated glycine, alanine and valine in the gases phase, at the hartree-fock level by means ofsto-3g,3-21g, 6-31g and 6-31+g basis sets. the calculations were performed for the ten (1-10)solvents using pcm m...

The combination of experimental and computational methods provides a powerful approach for understanding biological processes. Initial experiments can suggest hypotheses that can be captured by first-generation mathematical/ computational models (henceforth simply called ‘mathematical models’ or ‘models’), which can then be employed to generate new experimental approaches to test those models. ...

It is common knowledge that the accuracy with which computer simulations can depict physical events depends strongly on the choice of the mathematical model of the events. Perhaps less appreciated is the notion that the error due to modeling can be defined, estimated, and used adaptively to control modeling error, provided one accepts the existence of a base model that can serve as a datum with...

Thermochronometer data offers a powerful tool for quantifying a wide range of geologic processes, such as the deformation and erosion of mountain ranges, paleotopography, hydrocarbon maturation, and forest fire frequency. With increasing interest to quantify a wider range of complicated geologic processes, more sophisticate techniques are in need. This paper is concerned with an inverse problem...