Abstract

Nucleocytoplasmic shuttling of viral elements, supported by several host factors, is essential for the replication of the human immunodeficiency virus (HIV). HIV‐1 uses a nuclear RNA export pathway mediated by viral protein Rev to transport its Rev response element (RRE)‐containing partially spliced and unspliced transcripts aided by the host nuclear RNA export protein CRM1. The factor(s) interacting with the CRM1‐Rev complex are potential antiretroviral target(s) and could serve as a retroviral model system to study nuclear export machinery adapted by these viruses. We earlier reported that cellular Staufen‐2 interacts with Rev, facilitating viral‐RNA export. Here, we identified the formation of a complex between Staufen‐2, CRM1 and Rev. Molecular docking and simulations mapped the interacting residues in the RNA‐binding Domain 4 of Staufen‐2 as R336 and R337, which were experimentally verified to be …

Abstract

A unique B–N coordinated phenanthroimidazole-based zinc salen was synthesized. The zinc salen thus synthesized acts as a photocatalyst for the cycloaddition of carbon dioxide with terminal epoxides under ambient conditions. DFT study of the cycloaddition of carbon dioxide with terminal epoxide indicates the preference of the reaction pathway when photocatalyzed by zinc salen. We anticipate that this strategy will help to design new photocatalysts for CO2 fixation.

Abstract

Computational methods and recently modern machine learning methods have played a key role in structure-based drug design. Though several benchmarking datasets are available for machine learning applications in virtual screening, accurate prediction of binding afnity for a protein-ligand complex remains a major challenge. New datasets that allow for the development of models for predicting binding afnities better than the state-of-the-art scoring functions are important. For the frst time, we have developed a dataset, PLAS-5k comprised of 5000 protein-ligand complexes chosen from PDB database. The dataset consists of binding afnities along with energy components like electrostatic, van der Waals, polar and non-polar solvation energy calculated from molecular dynamics simulations using MMPBSA (Molecular Mechanics Poisson-Boltzmann Surface Area) method. The calculated binding afnities outperformed docking scores and showed a good correlation with the available experimental values. The availability of energy components may enable optimization of desired components during machine learning-based drug design. Further, OnionNet model has been retrained on PLAS-5k dataset and is provided as a baseline for the prediction of binding afnities

Abstract

Artificial Intelligence has seen a significant resurgence in the past decade in wide ranging technology and domain areas. Recent progress in digitisation and high influx of biomedical data have led to an unparalleled success of Machine Learning systems in healthcare, which is perceived to be a possible game changer for ‘healthcare to all’. This article gives an account of some of the current applications of AI solutions in the medical domains of diagnosis, prognosis and treatment. The article will also illustrate the implications of AI in the fight against the COVID-19 pandemic. Lastly, the article will summarise the challenges AI currently faces in its wide-scale adoption in the healthcare industry and how they can possibly be dealt with to move towards a more intelligent medical future. This may enable moving towards quality healthcare for all.

Abstract

Application of deep learning techniques for de novo generation of molecules, termed as inverse molecular design, has been gaining enormous traction in drug design. The representation of molecules in SMILES notation as a string of characters enables the usage of state of the art models in natural language processing, such as Transformers, for molecular design in general. Inspired by generative pre-training (GPT) models that have been shown to be successful in generating meaningful text, we train a transformer-decoder on the next token prediction task using masked self-attention for the generation of druglike molecules in this study. We show that our model, MolGPT, performs on par with other previously proposed modern machine learning frameworks for molecular generation in terms of generating valid, unique, and novel molecules. Furthermore, we demonstrate that the model can be trained conditionally to

Abstract

Now you can pursue world class courses on Indian soil… we are grooming a new generation of global Indians.… Join now and be the best.(A ‘computer institute’brochure in small town India) India’s large under-twenty-five adult population has stoked huge demand for technical, IT job-ready education. India is home to the largest undertwenty-five demographic profile in the world, 604,394,787 people and 49.91 per cent of the total population (Census, 2011), requiring a

Abstract

witter played a dominant role during the 2014 general elections in India, ushering a right-wing party into power. Political leaders employed Twitter to augment their public image and push right-wing campaign agendas to millions of followers. A prominent and strategic use of Twitter was credited to Prime Ministerial candidate Narendra Modi, portrayed as a visionary leader supporting economic development, social empowerment and good governance. Within this narrative, women's empowerment debates underwent multiple transformations. Through this article, we aim to establish the nature of discussions lying at the intersections of feminist thinking and internet technology. We study the discursive trajectory of women's empowerment against the backdrop of a right-wing political (Hindutva) ideology playing out on Twitter. Utilising the qualitative methods of Thematic Analysis and Feminist Relational Discourse …

Abstract

Binarization is an essential pre-processing step for many document image analysis tasks. Binarization of handwritten documents is more challenging than printed documents because of the non-uniform density of ink and the variable thickness of strokes. Instead of traditional scanners, people nowadays use the mobile camera to capture documents, including text written on white and glass boards. The quality of the camera-captured document images is often poor when compared with scanned document images. This impacts binarization accuracy. This paper presents a deep learning-based binarization framework called Deep Semantic Binarization (DSB) to binarize various document images. We pose document image binarization problem as a pixel-wise two-class classification task. Deep networks (including DSB) require many training images during training. However, the benchmark datasets with a limited number of training images are publicly available in the literature. We explore various training strategies, including transfer learning, to handle the data scarcity during training. Due to the unavailability of mobile-captured whiteboard and glass board images, we created two datasets, namely WBIDS-IIIT and GBIDS-IIIT, with associated ground truths. We validate DSBN on the public benchmark DIBCO dataset and WBIDS-IIIT and GBIDS-IIIT datasets. We empirically demonstrate that the DSB outperforms the state-of-the-art techniques for WBIDS-IIIT, GBIDS-IIIT and public datasets.

Abstract

When the Indian government declared the frst lockdown on 25 March 2020 to control the increasing number of COVID-19 cases, people were forced to stay and work from home. The aim of this study is to quantify the impact of stay-at-home orders on residential Air Conditioning (AC) energy and household electricity consumption (excluding AC energy). This was done using monitored data from 380 homes in a group of fve buildings in Hyderabad, India. We gathered AC energy and household electricity consumption data at a 30-min interval for each home individually in April 2019 and April 2020. Descriptive and inferential statistical analysis was done on this data. To ofset the diference in temperatures for the month of April in 2019 and 2020, only those weekdays were selected where the average temperature in 2019 was same as the average temperature in 2020. The study establishes that the average number of hours the AC was used per day in each home increased in the range 4.90–7.45% depending on the temperature for the year 2020. Correspondingly, the overall AC consumption increased in the range 3.60–4.5%, however the daytime (8:00 AM to 8:00 PM) AC energy consumption increased in the range 22–26% and nighttime (8:00 PM to 8:00 AM) AC energy consumption decreased by 5–7% in the year 2020. The study showed a rise in household electricity consumption of about 15% for the entire day in the year 2020. The household electricity consumption increased during daytime by 22- 27.50% and 1.90- 6.6% during the nighttime. It was observed that the morning household electricity peak demand shifted from 7:00 AM in 2019 to 9:00 AM in 2020. Conversely, the evening peak demand shifted from 9:00 PM in 2019 to 7:00 PM in 2020. An additional peak was observed during afternoon hours in the lockdown. Keywords: COVID-19, Residential energy consumption, Air conditioning energy consumption, Household electricity consumption, Case study, Data monitoring, India

Abstract

Melanin is a major contributor to the intensity and width of the retinal pigment epithelium (RPE) on optical coherence tomography (OCT). It is hypothesized, high melanin concentrations cause scattering making the RPE appear as a thick band and obscures adjacent layers. A split band appearance of the outermost hyperreflective band has been demonstrated in Albinism, meaning the RPE and Bruch’s Membrane appear as two separate bands. We performed a cross-sectional observational study to test the hypothesis that a reduction in melanin causes an increased ability to differentiate the hyperreflective bands seen on OCT images of the outer retina.