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In Silico Structural Analysis of Protein Carbonylation by Lipid Derivatives
April 26, 2024
在计算机中合成用活性羰基化合物修饰的氨基酸,以使用分子动力学模拟评估结构效应
01:55 min
•
Rafael Pineda-Alemán
,
Camila Cabarcas-Herrera
,
Antistio Alviz-Amador
,
Humberto Pérez-Gonzalez
,
Erika Rodríguez-Cavallo
,
Darío Méndez-Cuadro
1
Analytical Chemistry and Biomedicine Group, Exact and Natural Sciences Faculty
,
University of Cartagena
,
2
Analytical Chemistry and Biomedicine Group, Pharmaceutical Sciences Faculty
,
University of Cartagena
,
3
Pharmacology and Therapeutics Research Group
,
University of Cartagena
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在这里,我们描述了一种用活性羰基物种修饰的氨基酸残基的优化和参数化方案,适用于蛋白质系统。实验步骤包括结构设计和优化、电荷分配、参数构建和蛋白质系统的制备。
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