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Research article

First published 2024-9

AI-based 3D-QSAR model of FDA-approved repurposed drugs for inhibiting sclerostin

Pradeep Kumar Yadalam, Raghavendra Vamsi Anegundi, Ramya Ramadoss [...]

Technology and Health Care

Open access

Research article

First published 2024

3D-QSAR,ADMET,and molecular docking studies of aztreonam analogs as E. colis inhibitors

Melese Legesse Mitku, Wudneh Simegn, Gashaw Sisay Chanie [...]

Sage Open Medicine

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Research article

First published 2004-08

Toward the Quantitative Prediction of T-Cell Epitopes: QSAR Studies on Peptides Having Affinity with the Class I MHC Molecular HLA-A*0201

Lin Zhihua, Wu Yuzhang, Zhu Bo [...]

Journal of Computational Biology

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Research article

First published 1996-4

The Extension and Application of Molecular Similarity Calculations to Drug Design

Andrew C. Good, W. Graham Richards

Therapeutic Innovation & Regulatory Science

Free access

Research article

First published 2005-7

Skin Sensitization: Modeling Based on Skin Metabolism Simulation and Formation of Protein Conjugates

Sabcho D. Dimitrov, Lawrence K. Low, Grace Y. Patlewicz [...]

International Journal of Toxicology

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Research article

First published 2002-04

Modeling of the Anticancer Action for Radical Derivatives of Nitroazoles: Quantitative Structure-Activity Relationship (QSAR) Study

Andrei Khlebnikov, Igor Schepetkin, Byoung Se Kwon

Cancer Biotherapy and Radiopharmaceuticals

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Research article

First published 2010-6

Molecular Modeling and Structure-Activity Relationship of Podophyllotoxin and Its Congeners

Pradeep Kumar Naik, Afroz Alam, Ashutosh Malhotra [...]

Journal of Biomolecular Screening

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Research article

First published 2008-03

A Quantitative Structure-Activity Relationship Model for Radical Scavenging Activity of Flavonoids

A. Om, J.H. Kim

Journal of Medicinal Food

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Research article

First published 2006-4

Indolyl Aryl Sulphones as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: Synthesis,Biological Evaluation and Binding Mode Studies of New Derivatives at Indole-2-carboxamide

Gabriella De Martino, Giuseppe La Regina, Rino Ragno [...]

Antiviral Chemistry and Chemotherapy

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Research article

First published 2015-10

Human Papillomavirus Genome-Wide Identification of T-Cell Epitopes for Peptide Vaccine Development Against Cervical Cancer: An Integration of Computational Analysis and Experimental Assay

Bo Li, Xianfang Zheng, Chuancui Hu [...]

Journal of Computational Biology

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