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Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Corrigendum to: Reviewing the Context of Molecular Modeling to Enhance the Application of Machine Learning
1Campus Pici, Universidade Federal do Ceará, Fortaleza-Ceará, Brazil.
Abstract:
After publication of this article [1], minor production error is identified, an incorrect link was displayed under Heading 4. This error has now been corrected. The original article can be found online at: https://www.benthamscience.com/article/152908 Details of the errors and the corrections are provided here. Original: When calculating properties related to this function, such as the interaction energy between ligand and receptor in docking, instead of using the entire Cartesian space, the computational effort is substantially reduced since only the grid points are used for these calculations [14]. (https://doi.org/10.1002/jcc.21256). Corrected: When calculating properties related to this function, such as the interaction energy between ligand and receptor in docking, instead of using the entire Cartesian space, the computational effort is substantially reduced since only the grid points are used for these calculations [14].
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