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Computer-aided retrometabolic drug design: soft drugs

Expert Opinion on Drug Discovery, 2007
Soft drug design approaches aim to design new therapeutic agents that undergo facile, preferentially hydrolytic metabolism to produce inactive metabolites. This approach is general and can be used in essentially any therapeutic area, especially where the desired activity is localized, relatively short-lived or susceptible to easy titration.
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Challenges and limitations of computer-aided drug design

Molecular Modelling in Drug Designing or Computer Aided Drug Designing (CADD) plays a significant role in new drug identification in the current world. However, it has sensitivity challenges and limitation because theoretical models involve assumption and approximations Computational models are not very accurate, some of the major challenges that face ...
Souvik, Sur, Hemlata, Nimesh
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The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)

Letters in Drug Design and Discovery, 2022
Thiago Aquino   +2 more
exaly  

Computer Aided Drug Design

International Journal of Biochemistry, 1990
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Recent Advances in Application of Computer-Aided Drug Design in Anti-Influenza A Virus Drug Discovery

International Journal of Molecular Sciences, 2022
Ye Wang, Dahai Yu
exaly  

Deep Machine Learning for Computer-Aided Drug Design

Frontiers in Drug Discovery, 2022
Jürgen Bajorath
exaly  

Computer-Aided Design of Antimicrobial Peptides: Are We Generating Effective Drug Candidates?

Frontiers in Microbiology, 2020
Marlon Cardoso   +2 more
exaly  

Recent Trends in Computer-aided Drug Design for Anti-cancer Drug Discovery

Current Topics in Medicinal Chemistry, 2023
Abbeha Malik
exaly  

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