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Open access

Research article

First published 2024-1

Computer-aided drug discovery of natural antiviral metabolites as potential SARS-CoV-2 helicase inhibitors

Eslam B Elkaeed, Ibrahim H Eissa, Abdulrahman M Saleh [...]

Journal of Chemical Research

Open access

Research article

First published 2025-9

Computer-aided drug discovery of potential semisynthetic inhibitors for SARS-CoV-2 main protease: A multi-phase computational approach

Ahmed M Metwaly, Hazem Elkady, Eslam B Elkaeed [...]

Journal of Chemical Research

Free access

Editorial

First published 2015-9

Current insights into computer-aided immunotherapeutic design strategies

Zhi Cai, Guoyin Zhang, Xuejin Zhang [...]

International Journal of Immunopathology and Pharmacology

Free access

Research article

First published 2014-2

In Silico Prediction of Tyrosinase and Adenylyl Cyclase Inhibitors from Natural Compounds

Pedro Fong, Henry H. Y. Tong, Chi M. Chao

Natural Product Communications

Retricted access

Research article

First published 2021-5

Trends in application of advancing computational approaches in GPCR ligand discovery

Siyu Zhu, Meixian Wu, Ziwei Huang [...]

Experimental Biology and Medicine

Free access

Research article

First published 2012-10

In Silico Prediction of the Cosmetic Whitening Effects of Naturally Occurring Lead Compounds

Pedro Fong, Henry H. Y. Tong

Natural Product Communications

Retricted access

Research article

First published

Deterministic Pharmacophore Detection via Multiple Flexible Alignment of Drug-Like Molecules

Dina Schneidman-Duhovny, Oranit Dror, Yuval Inbar [...]

Journal of Computational Biology

Open access

Research article

First published 2023

Identification of Putative Drug Targets in Highly Resistant Gram-Negative Bacteria;and Drug Discovery Against Glycyl-tRNA Synthetase as a New Target

Sepideh Fereshteh, Narjes Noori Goodarzi, Hourieh Kalhor [...]

Bioinformatics and Biology Insights

Retricted access

Research article

First published 2021-06-22

Computational Design of Copper Ligands with Controlled Metal Chelating,Pharmacokinetics,and Redox Properties for Alzheimer’s Disease

Diego Chaparro, Areli Flores-Gaspar, Jorge Alí-Torres

Journal of Alzheimer’s Disease

Retricted access

Research article

First published 2025-4

Drug Repurposing Using Computational Tools and Preventive Strategies for COVID-19 and Future Pandemics

Shruti Rathore, Praveen Dahiya

Journal of Health Management

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