Docking fundamentals for simulation in nanoscience
نویسندگان
چکیده
This work reviews the literature on molecular docking process, presenting simulation methodology, construction parameters and how results are interpreted. In this context, a study of is carried out using binding protein COVID-19 virus with human cell, called spike, an antiviral molecule heparin. As result, reached, distances, energies three-dimensional positioning ligand-receptor system shown. type currently done in area discovering new drugs, or drugs discovered aid computer. final discussion, it concludes importance computational knowledge as way to support various chemical, physical biological activities multidisciplinary field nanoscience nanotechnology.
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ژورنال
عنوان ژورنال: Disciplinarum Scientia
سال: 2021
ISSN: ['1981-2841', '2176-462X']
DOI: https://doi.org/10.37779/nt.v22i3.4106