Input parameters and output trajectory files for manuscript "Discovery of Galloyl-Flavonoids Conjugates as Potent SARS-CoV-2 3CLpro Inhibitors: Understanding Binding Interactions through Computational Approaches" - Set 2

Input parameters used for molecular dynamics simulations on GROMACS 2022.5 software and the output trajectory files for calculating binding free energy, in the manuscript with the title: "Discovery of Galloyl-Flavonoids Conjugates as Potent SARS-CoV-2 3CLpro Inhibitors: Understanding Binding Interactions through Computational Approaches"该数据集包含用于GROMACS 2022.5软件开展分子动力学模拟的输入参数，以及用于计算结合自由能的输出轨迹文件，相关内容来自标题为《没食子酰黄酮缀合物作为强效严重急性呼吸综合征冠状病毒2（SARS-CoV-2）3C样蛋白酶（3CLpro）抑制剂的发现：通过计算方法解析结合相互作用》的研究论文。