Binding sites are key components of biomolecular structures, such as proteins and RNAs, serving as hubs for interactions with other molecules. Identification of the binding sites in macromolecules is essential for structure-based molecular and drug design. However, experimental methods for binding site identification are resource-intensive and time-consuming. In contrast, computational methods enable large-scale binding site identification, structure flexibility analysis, as well as assessment of intermolecular interactions within the binding sites. In this review, we describe recent advances in binding site identification using machine learning methods; we classify the approaches based on the encoding of the macromolecule information about its sequence, structure, template knowledge, geometry, and energetic characteristics. Importantly, we categorize the methods based on the type of the interacting molecule, namely, small molecules, peptides, and ions. Finally, we describe perspectives, limitations, and challenges of the state-of-the-art methods with an emphasis on deep learning-based approaches. These computational approaches aim to advance drug discovery by expanding the druggable genome through the identification of novel binding sites in pharmacological targets and facilitating structure-based hit identification and lead optimization.

The thick-shelled river mussel Unio crassus is categorized as Endangered on the IUCN Red List, and searching for surviving populations is urgent. We surveyed for this species in Kaliningradskaya Oblast, a Russian territory lying between Poland and Lithuania, where empty shells of the species had been reported from two rivers. There are at least 125 rivers and numerous small streams in the region, and as a comprehensive survey of all of these watercourses is infeasible, we used a method developed for surveys of the freshwater pearl mussels Margaritifera margaritifera and Margaritifera laevis. This involved a remote assessment of the forests and lakes in the river basins to identify sites potentially suitable for U. crassus based on criteria used for pearl mussels, followed by site surveys. We surveyed six sites and discovered U. crassus in five of those, only two of which support healthy populations. The existence of other U. crassus populations in Kaliningradskaya Oblast is unlikely. This study underscores the critical role of riparian arboreal vegetation for freshwater mussels. The conservation of U. crassus in rivers surrounded by farmlands is challenging because of siltation, eutrophication and other processes that negatively impact the riverine environment. Even the abandonment of these farmlands does not necessarily lead to improvements in mussel survival. Any plans for the restoration of U. crassus will require concurrent restoration of riparian arboreal vegetation.

We propose the techniques for automatic processing of measurement results in the context of golden (typical) device selection and noise figure measurement. These techniques are for golden (typical) device selection and noise figure measurement processing. Automation of measurement result processing and microwave element modeling speeds up a modeling routine and decreases the risk of possible errors. The techniques are validated through modeling of 0.15 μm GaAs pHEMTs with 4 × 40 μm and 4 × 75 μm total gate widths. Two test amplifiers were designed using the developed models. The amplifier modeling results agree well with measurements which confirms the validity of the proposed techniques. The proposed algorithm is potentially applicable to other circuit types (switches, digital, power amplifiers, mixers, oscillators, etc.) but may require different settings in those cases. However, in the presented work, we validated the algorithm for the linear and low-noise amplifiers only.

We describe the population of the Еndangered sea otter Enhydra lutris on Urup Island, one of the main wildlife refuges in the southern Kuril Islands of Russia. We reviewed historical and local reports of the sea otter, identified its habitat around the island, and surveyed the coastal waters of the island in 2019. Sea otters were numerous on Urup Island in the past but were hunted excessively and almost exterminated by the 1950s. Since then, sea otter populations have increased, and as the island is almost uninhabited we expected otters to be numerous. This was not the case, and we estimated the total population to be 363 ± SE 126 individuals. Our observation of two skinned carcasses on the shore suggests the low numbers are a result of poaching for the illegal fur trade. The case of Urup Island demonstrates that sea otters require active conservation, as even on a remote island they remain threatened. Establishment of protected areas would be an effective conservation measure for this species, although the suppression of demand for sea otter fur is of the greatest importance.

To many in both the East and the West it seemed axiomatic that the collapse of the Soviet Union in 1991 was due to “nationality reasons,” which were viewed as a natural process in the last empire's decline. Then, during the democratic reform of a totalitarian state, ethnic minority rights were first spoken of, and the growth of national self-awareness appeared to be an integral part of society's liberalization. Time has since shown that liberal changes in the economy and in the political and social spheres are not always accompanied by the establishment of social justice; indeed, it has frequently been minorities who are among the most unfortunate and marginalized groups in society. Defending the rights of minorities and combating ethnic and racial discrimination remains one of the most relevant issues in practically all post-socialist countries of the former Soviet Union and Eastern and Central Europe.

A catalytic depolymerization (a reversible polymerization) of 3D-polymerized C60 phases (including an ultrahard fullerite phase) takes place in the presence of sulfur under the conditions of a large plastic deformation at room temperature. The sulfur atoms remain in the samples of 3D C60 polymers after catalytic synthesis using carbon disulfide (CS2) as a catalyst (the presence of sulfur has a considerable impact on the 3D C60 polymerization by decreasing the polymerization pressure). Raman, infrared, and transmission electron microscope studies show that the depolymerized fullerite samples have a structure typical for dimers, 1D and 2D C60 polymers. The 3D C60 samples with some remaining sulfur can be quenched under ambient conditions if the samples have not undergone a large plastic deformation. There is no depolymerization for pure C60 3D-polymerized phases synthesized without a sulfur-based catalyst.