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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

Free access

Research article

First published 2019-9

Does the single-walled carbon nanotube affect the rate constant of binding of biotin to streptavidin? Molecular dynamics simulation perspective

Orkide Soltani, Mohammad Reza Bozorgmehr, Mohammad Momen-Heravi

Progress in Reaction Kinetics and Mechanism

Open access

Research article

First published 2024

Investigating Lasofoxifene Efficacy Against the Y537S + F404V Double-Mutant Estrogen Receptor Alpha Using Molecular Dynamics Simulations

El Mehdi Bouricha, Mohammed Hakmi

Bioinformatics and Biology Insights

Open access

Research article

First published 2023

Structural-Based Virtual Screening of FDA-Approved Drugs Repository for NSP16 Inhibitors,Essential for SARS-COV-2 Invasion Into Host Cells: Elucidation From MM/PBSA Calculation

Subodh Kumar, Harvinder Singh, Manisha Prajapat [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2023

A Novel Inhibitor of DKK1/LRP6 Interactions Against the Alzheimer Disease: An Insilco Approach

Manisha Prajapat, Harvinder Singh, Gajendra Chaudhary [...]

Bioinformatics and Biology Insights

Retricted access

Research article

First published 2025-07

Targeting Cyclin-Dependent Kinase 12 (CDK12) for Cancer Therapy: Structure-Based Discovery of Two Novel CDK12 Inhibitors In Silico Using Integrated Bioinformatics

Zehra, Lina I. Alnajjar, Nawaf Alshammari [...]

OMICS: A Journal of Integrative Biology

Open access

Research article

First published 2024

Neomangiferin,a Naturally Occurring Mangiferin Congener,Inhibits Sodium-Glucose Co-transporter-2: An In silico Approach

Ayobami J Olusola, Samson O Famuyiwa, Kolade O Faloye [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2023-01

Analysis of Testosterone Binding with Cytochrome P450 11β-Hydroxylase and Its Variants Through Computational Approach

Sonika Kar, T.S. Sreevidya, Rucha Y. Hebalkar [...]

DNA and Cell Biology Reports

Free access

Research article

First published 2005-10

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson

Journal of Biomolecular Screening

Open access

Research article

First published 2026

In Silico Identification of Lepiotaprocerin C as a Promising PIM-1 Kinase Inhibitor: An Integrated Docking,Molecular Dynamics,MM/PBSA,QSAR,and ADMET Study

Keshava KS, Faten Qais Ibraheem, Shankar Thapa [...]

Bioinformatics and Biology Insights

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