Molecular docking | Introduction to basic computational chemistry method | drug-target interaction
Автор: Science Addicted
Загружено: 2020-08-23
Просмотров: 47297
Molecular docking is a widely used technique to study drug-target interaction at an atomic level. After calculating the binding position between the ligand and the target, the main purpose is to study the Drug-target interaction, at atomic level. This way, docking methods allow screening of entire libraries of molecules with a much lower cost than lab experiments, and also allows a precise drug development and lead optimization. Molecular docking tutorials for beginners will be following this short video. The purpose of this video is to provide a very high level, simplified introduction to key concepts of docking. Molecular docking seems deceivingly simple at first glance, however several factors can influence the quality of the final result. Research naive individuals can fall under the pitfalls without realizing the artifacts generated.
Molecular docking tutorials with autodock are very widespread, however practical steps will need to be taken into account before starting the work.
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