Molecular Docking and Its Applications in Nanotechnology

Abstract

This chapter explores the intersection of molecular docking and nanotechnology, highlighting how computational methods drive innovations at the nanoscale. The fundamental principles and algorithms of molecular docking are highlighted before moving on to its pivotal role in nanotechnology. The applications are diverse, from improving drug delivery systems through enhanced interactions between nanoparticles and drugs to guiding the precise design of nanomaterials through protein-nanomaterial interactions. The chapter includes case studies that provide real-world examples of molecular docking's applications. It also addresses challenges and offers a balanced perspective on integrating molecular docking in nanotechnology. The chapter explores future directions and emerging trends, envisioning advancements in docking algorithms and their potential impact on future nanotechnology innovations. In conclusion, the chapter outlines implications for nanotechnology advancements and encourages the exploration of molecular docking in nanotechnology.