Related Experiment Video
Updated: Mar 31, 2026

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
Screening of potential ligands from the ZINC database with RAC1B using molecular docking and dynamics simulation
1Institute of Sciences, SAGE University, Indore, Madhya Pradesh, India.
None:
Breast cancer remains the most frequently diagnosed cancer among women worldwide. Therefore, it is of interest to document the Screening for potential ligands from the ZINC database with RAC1B using molecular docking and dynamics simulation analysis. Data shows the optimal binding of five lead compounds ZINC5277811, ZINC16485670, ZINC20530618, ZINC29990274, and ZINC3528881 with RAC1B for further consideration.
More Related Videos
10:21Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
Published on: February 23, 2024
08:49Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Related Concept Videos
Ligand Binding Sites
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
The Equilibrium Binding Constant and Binding Strength