Phytoestrogens, including miroestrol and deoxymiroestrol, have the ability to act through competition with estrogen for binding to the estrogen receptor (ER). Here, we utilize manual ligand docking followed by molecular dynamics simulations and binding free energy calculations with the linear interaction energy method to predict the binding modes and the binding affinities of phytoestrogens on ...

Some connections between quantum computing and quantum algebra are described, and the Four Color Theorem (4CT) is interpreted within both contexts. keywords: Temperley-Lieb algebra, Jones-Wenzl idempotents, Bose-Einstein condensate, analog computation, R-matrix

HF level of ab initio calculations with basis-set 6-31G including full counterpoise correction hasbeen applied to compute the AspHis potential with the Ser and HisSer potential with the Asp inAspHisSer trimer. The potential energy surface has a minimum of -16.765 kcal/mol in R1=1.912nm and R2=2.719 nm. The optimum computed curves for two interactions were fitted withintermolecular pair potentia...

Abstract Metasurfaces with ultrathin artificial structures have attracted much attention because of their unprecedented capability in light manipulations. The recent development metasurfaces controllable responses opens up new opportunities various applications. Moreover, composed twisted chiral can generate asymmetric for opposite incidence, leading to more degrees freedom wave detections and ...

A double-beam polarization-sensitive system based on optical coherence tomography was built to measure the Mueller matrix of scattering biological tissue with high spatial resolution. The Jones matrix of a sample can be determined with a single scan and subsequently converted into an equivalent nondepolarizing Mueller matrix. As a result, the system can be used to measure the Mueller matrix of ...