Artificial intelligence in chemistry: current trends and future directions
ZJ Baum, X Yu, PY Ayala, Y Zhao… - Journal of Chemical …, 2021 - ACS Publications
The application of artificial intelligence (AI) to chemistry has grown tremendously in recent
years. In this Review, we studied the growth and distribution of AI-related chemistry …
years. In this Review, we studied the growth and distribution of AI-related chemistry …
Fundamentals and methods for T‐and B‐cell epitope prediction
JL Sanchez-Trincado… - Journal of …, 2017 - Wiley Online Library
Adaptive immunity is mediated by T‐and B‐cells, which are immune cells capable of
develo** pathogen‐specific memory that confers immunological protection. Memory and …
develo** pathogen‐specific memory that confers immunological protection. Memory and …
Viral epitope profiling of COVID-19 patients reveals cross-reactivity and correlates of severity
INTRODUCTION A systematic characterization of the humoral response to severe acute
respiratory system coronavirus 2 (SARS-CoV-2) epitopes has yet to be performed. This …
respiratory system coronavirus 2 (SARS-CoV-2) epitopes has yet to be performed. This …
A sequence homology and bioinformatic approach can predict candidate targets for immune responses to SARS-CoV-2
Effective countermeasures against the recent emergence and rapid expansion of the 2019
novel coronavirus (SARS-CoV-2) require the development of data and tools to understand …
novel coronavirus (SARS-CoV-2) require the development of data and tools to understand …
In silico validation of the non‐antibiotic drugs acetaminophen and ibuprofen as antibacterial agents against red complex pathogens
J Vijayashree Priyadharsini - Journal of periodontology, 2019 - Wiley Online Library
Background Acetaminophen (APAP) and ibuprofen (IB) are drugs commonly used to
alleviate pain due to their anti‐inflammatory, anti‐pyretic, and analgesic effect. The aim of …
alleviate pain due to their anti‐inflammatory, anti‐pyretic, and analgesic effect. The aim of …
COVID-19 coronavirus vaccine design using reverse vaccinology and machine learning
To ultimately combat the emerging COVID-19 pandemic, it is desired to develop an effective
and safe vaccine against this highly contagious disease caused by the SARS-CoV-2 …
and safe vaccine against this highly contagious disease caused by the SARS-CoV-2 …
Therapeutics data commons: Machine learning datasets and tasks for drug discovery and development
Therapeutics machine learning is an emerging field with incredible opportunities for
innovatiaon and impact. However, advancement in this field requires formulation of …
innovatiaon and impact. However, advancement in this field requires formulation of …
Development of epitope‐based peptide vaccine against novel coronavirus 2019 (SARS‐COV‐2): Immunoinformatics approach
Recently, a novel coronavirus (SARS‐COV‐2) emerged which is responsible for the recent
outbreak in Wuhan, China. Genetically, it is closely related to SARS‐CoV and MERS‐CoV …
outbreak in Wuhan, China. Genetically, it is closely related to SARS‐CoV and MERS‐CoV …
An in silico deep learning approach to multi-epitope vaccine design: a SARS-CoV-2 case study
The rampant spread of COVID-19, an infectious disease caused by SARS-CoV-2, all over
the world has led to over millions of deaths, and devastated the social, financial and political …
the world has led to over millions of deaths, and devastated the social, financial and political …
Immunoinformatics‐aided identification of T cell and B cell epitopes in the surface glycoprotein of 2019‐nCoV
V Baruah, S Bose - Journal of medical virology, 2020 - Wiley Online Library
Abstract The 2019 novel coronavirus (2019‐nCoV) outbreak has caused a large number of
deaths with thousands of confirmed cases worldwide, especially in East Asia. This study …
deaths with thousands of confirmed cases worldwide, especially in East Asia. This study …