Determination of corrosion inhibition effects of amino acids: Quantum chemical and molecular dynamic simulation study
By Savas Kaya, B. Tüzün, C. Kaya, I. Obot. 2016
273 citations recorded by the source corpus.
Subfields: Electronic, Optical and Magnetic Materials, Materials Chemistry, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/e8ae9e2eed1955b281d89cff1892bd3ce35aa47d
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In Materials Chemistry
Citations in the corpus
- In silico methods and tools for drug discovery (2021, methodology): “This approach includes molecular docking, fragment-based docking, and molecular dynamic simulation for the prediction of binding affinity [127 – 129].”