We describe a nonparametric approach for accurate determination of the slowest relaxation eigenvectors molecular dynamics. The is blind as it uses no system specific information. In particular, does not require functional form with many parameters to closely approximate eigenvectors, e.g., linear combinations descriptors or deep neural network, and thus extensive expertise system. suggest rigor...

because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (da) and arachidonoyl dopamine (aa-da), the necessity of biocompatible carrier to keep them against oxidation is of importance. in this work, we explored the putative binding sites of da and aa-da to -lactoglobulin (blg) as potent carrier. docking results identified the binding si...

Powdery mildew caused by Erysiphe necator, is one of the most economically damaging diseases of grapevine throughout the world. This is the first molecular biology study on this fungus in Iran. The aims of the present study were (a) to analyse genetic diversity between isolates of E. necator fungus in four main grape production regions in Iran, i. e., Qazvin, Alamoot, Takestan and Shahriar and ...

In this study, spectroscopic properties of the single-walled boron-nitride nanotube (SWBNNT) –a semiconductor channel in molecular diodes and molecular transistors–have been investigated under field-free and various applied electric fields by first principle methods.Our analysis shows that increasing the electric field in boron-nitride nanotube (BNNT) decreases the Highest Occupied Crystal Orbi...

as recent advancements in biology shows, the molecular machines specially proteins, rna and complex molecules play the main role of the so called cell functionality. it means a very big part of the system biology is concerned with the interactions of such molecular components. drug industries and research institutes are trying hard to better understand the concepts underlying these interactions...