Application of computational biology and artificial intelligence in drug design
Traditional drug design requires a great amount of research time and developmental
expense. Booming computational approaches, including computational biology, computer …
expense. Booming computational approaches, including computational biology, computer …
Potential of quantum computing for drug discovery
Y Cao, J Romero… - IBM Journal of Research …, 2018 - ieeexplore.ieee.org
Quantum computing has rapidly advanced in recent years due to substantial development in
both hardware and algorithms. These advances are carrying quantum computers closer to …
both hardware and algorithms. These advances are carrying quantum computers closer to …
Updates on drug designing approach through computational strategies: a review
The drug discovery and development (DDD) process in pursuit of novel drug candidates is a
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
Deep learning techniques and COVID-19 drug discovery: Fundamentals, state-of-the-art and future directions
The world is in a frustrating situation, which is exacerbating due to the time-consuming
process of the COVID-19 vaccine design and production. This chapter provides a …
process of the COVID-19 vaccine design and production. This chapter provides a …
Insights from incorporating quantum computing into drug design workflows
Motivation While many quantum computing (QC) methods promise theoretical advantages
over classical counterparts, quantum hardware remains limited. Exploiting near-term QC in …
over classical counterparts, quantum hardware remains limited. Exploiting near-term QC in …
A recent appraisal of artificial intelligence and in silico ADMET prediction in the early stages of drug discovery
In silico ADMET models have progressed significantly over the past~ 4 decades, but still, the
pharmaceutical industry is vexed by the late-stage toxicity failure of lead molecules. This …
pharmaceutical industry is vexed by the late-stage toxicity failure of lead molecules. This …
Viral informatics: bioinformatics-based solution for managing viral infections
Several new viral infections have emerged in the human population and establishing as
global pandemics. With advancements in translation research, the scientific community has …
global pandemics. With advancements in translation research, the scientific community has …
High-throughput structure-based drug design (HT-SBDD) using drug docking, fragment molecular orbital calculations, and molecular dynamic techniques
RL Martin, A Heifetz, MJ Bodkin… - … Computing for Drug …, 2023 - Springer
Abstract Structure-based drug design (SBDD) is rapidly evolving to be a fundamental tool for
faster and more cost-effective methods of lead drug discovery. SBDD aims to offer a …
faster and more cost-effective methods of lead drug discovery. SBDD aims to offer a …
Towards the quantum-enabled technologies for development of drugs or delivery systems
P Hassanzadeh - Journal of Controlled Release, 2020 - Elsevier
Enormous advances in technology and science have provided outstanding innovations
including the development of quantum computers (QCs) capable of performing various tasks …
including the development of quantum computers (QCs) capable of performing various tasks …
Current and future challenges in modern drug discovery
CS Tautermann - Quantum mechanics in drug discovery, 2020 - Springer
Drug discovery is an expensive, time-consuming, and risky business. To avoid late-stage
failure, learnings from past projects and the development of new approaches are crucial …
failure, learnings from past projects and the development of new approaches are crucial …