De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein

De Novo Design of Anti-COVID Drugs Using Machine Learning-Based Equivariant Diffusion Model Targeting the Spike Protein

The drug discovery and research for an anti-COVID-19 drug has been ongoing despite repurposed drugs in the market. Over time, these drugs were discontinued due to side effects. The search for effective drugs is still under process. The role of Machine Learning (ML) is critical in the search for nove...

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Bibliographic Details
Main Authors: Vidya Niranjan, Akshay Uttarkar, Ananya Ramakrishnan, Anagha Muralidharan, Abhay Shashidhara, Anushri Acharya, Avila Tarani, Jitendra Kumar
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Current Issues in Molecular Biology
Subjects:
equivariant diffusion model
inpaint
full-atom
SARS-CoV-2
molecular dynamics
Online Access:https://www.mdpi.com/1467-3045/45/5/271

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