Investigations of Takeout proteins’ ligand binding and release mechanism using molecular dynamics simulation
نویسندگان
چکیده
منابع مشابه
Analysis of ligand binding to proteins using molecular dynamics simulations.
This work aims to explore theoretically the molecular mechanisms of ligand binding to proteins through the use of molecular dynamics simulations. The binding of sodium dodecyl sulfate (SDS) to cobra cardio toxin A3 (CTX A3) and thiourea (TOU) to lysozyme have been chosen as the two model systems. Data acquisitions were made by Gromacs software. To begin with, the collisions of ligand molecules ...
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ژورنال
عنوان ژورنال: Journal of Biomolecular Structure and Dynamics
سال: 2016
ISSN: 0739-1102,1538-0254
DOI: 10.1080/07391102.2016.1185646