Computer-Aided aptamer design for sulfadimethoxine antibiotic: step by step mutation based on MD simulation approach.

Abstract excerpt

This study introduces a computational method to design a new aptamer with higher binding affinity to a special target in comparison with the experimentally available aptamers. The method is called step by step mutation based on MD simulation, which includes some steps. First, MD simulation is performed for the SELEX-introduced (native) aptamer in the presence of the target. Afterwards, conformational factor (Pi)...

Topics

Share this publication in a Topic to start or enrich a Post.

• Share to Anti-Bacterial Agents
• Share to Aptamers, Nucleotide