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Open access

Research article

First published 2023

In silico Structure Prediction,Molecular Docking,and Dynamic Simulation of Plasmodium falciparum AP2-I Transcription Factor

David O Oladejo, Gbolahan O Oduselu, Titilope M Dokunmu [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2022-12

Activation of the Nrf2 Antioxidant Pathway by Longjing Green Tea Polyphenols in Mice Livers

Le Lv, Haoyue Shu, Xiaoye Mo [...]

Natural Product Communications

Open access

Research article

First published 2024

Unlocking Benzosampangine’s Potential: A Computational Approach to Investigating,Its Role as a PD-L1 Inhibitor in Tumor Immune Evasion via Molecular Docking,Dynamic Simulation,and ADMET Profiling

Abderrahim Ait Ouchaoui, Salah Eddine El Hadad, Marouane Aherkou [...]

Bioinformatics and Biology Insights

Free access

Research article

First published 2005-10

Experimental Screening of Dihydrofolate Reductase Yields a “Test Set” of 50,000 Small Molecules for a Computational Data-Mining and Docking Competition

Nadine H. Elowe, Jan E. Blanchard, Jonathan D. Cechetto [...]

Journal of Biomolecular Screening

Retricted access

Review article

First published 2024-01

A Review on Molecular Docking As an Interpretative Tool for Molecular Targets in Disease Management

Divya Sahu, Lokendra Singh Rathor, Shradha Devi Dwivedi [...]

ASSAY and Drug Development Technologies

Retricted access

Research article

First published 2014-03

HarmonyDOCK: The Structural Analysis of Poses in Protein-Ligand Docking

Dariusz Plewczynski, Anna Philips, Marcin Von Grotthuss [...]

Journal of Computational Biology

Retricted access

Research article

First published 1998-12

A Method for Biomolecular Structural Recognition and Docking Allowing Conformational Flexibility

Bilha Sandak, Ruth Nussinov, Haim J. Wolfson

Journal of Computational Biology

Open access

Research article

First published 2022

Revealing the Acetylcholinesterase Inhibitory Potential of Phyllanthus amarus and Its Phytoconstituents: In Vitro and in Silico Approach

Kolade O Faloye, Shafi Mahmud, Emmanuel G Fakola [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2024-8

Discovery of α-Glucosidase/Acetylcholinesterase Inhibitors from a Traditional Herbal Prescription of Qi-Li-Qiang-Xin Capsule by Time-Based Fractionation and Enzymatic Activity Assay

Hui-Peng Song, Ming-Yue Zhao, Zhi-Li Xu [...]

Natural Product Communications

Retricted access

Research article

First published 2019-05-18

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Gargi Tiwari, Ambrish Kumar Srivastava, Ratnesh Kumar [...]

Main Group Chemistry

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