We investigate a new strategy to enhance thermally activated delayed fluorescence (TADF) in organic light-emitting diodes (OLEDs). Given that the TADF rate of molecule depends on its conformation, we hypothesize there exists conformation maximizes rate. To test this idea, use time-dependent density functional theory (TDDFT) simulate rates several emitters while varying their geometries select s...

background and aims: the caspases are unique proteases that mediate the host cell apoptosis during viral infection. in this study, we identified the caspase cleavage motifs of h5n1 and h9n2 influenza viruses isolated during 1998-2012. materials and methods: amino acid sequences of the eleven proteins encoded by the viruses as the caspase substrates downloaded from ncbi. the caspase cleavage mot...

The number of known protein structures is rapidly increasing. The function of most proteins is still poorly understood or even completely unknown. At the same time, there are also many large protein families for which many structural variants are available. We present a substructure-based approach called LabelHash that can be used to annotate proteins with unknown function. We also describe a n...

A generalization of the exponentiated Weibull geometric model called the transmuted exponentiated Weibull geometric distribution is proposed and studied. It includes as special cases at least ten models. Some of its structural properties including order statistics, explicit expressions for the ordinary and incomplete moments and generating function are derived. The estimation of the model param...