Force Field Parameters for Fe2+4S2-4 Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies.

导出 OA

翻译打印收藏纠错

作者： Maureen Bilinga,Tendwa ^[1] ; Lorna,Chebon-Bore ^[1] ; Kevin,Lobb ^[1] ; Thommas Mutemi,Musyoka ^[2] ; Özlem,Tastan Bishop ^[1]

作者单位： Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Makhanda 6140, South Africa. ^[1] Department of Chemistry, Rhodes University, Makhanda 6140, South Africa. ^[2]

关键词 AMBER force field parameters Seminario approach dihydropyrimidine dehydrogenase (DPD)iron [Fe2+4S2?4] clusters molecular dynamic (MD) simulation quantum mechanics (QM)

主题词动物(Animals);抗肿瘤药(Antineoplastic Agents);计算机模拟(Computer Simulation);二氢尿嘧啶脱氢酶(NADP)(Dihydrouracil Dehydrogenase (NADP));酶稳定性(Enzyme Stability);氟尿嘧啶(Fluorouracil);人类(Humans);铁硫蛋白质类(Iron-Sulfur Proteins);分子构象(Molecular Conformation);分子动力学模拟(Molecular Dynamics Simulation);肿瘤(Neoplasms);遗传药理学(Pharmacogenetics);主成分分析(Principal Component Analysis);质子(Protons);量子论(Quantum Theory);结构同源性, 蛋白质(Structural Homology, Protein);猪(Swine);热力学(Thermodynamics)

DOI 10.3390/molecules26102929

PMID 34069161

发布时间 2021-06-22

翻译满意度评价：

准确一般字义偏差语意偏离译文作用小提交

浏览0

Molecules (Basel, Switzerland)

2021年26卷10期

相似文献

中文期刊
外文期刊
学位论文
会议论文

检索历史清除

Force Field Parameters for Fe<sup>2+</sup><sub>4</sub>S<sup>2-</sup><sub>4</sub> Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies.

Molecules (Basel, Switzerland)

相似文献

Molecules (Basel, Switzerland)

相关期刊

参考文献：
指定格式：	NoteExpress EndNote RefWorks NoteFirst

检索历史 清除

Force Field Parameters for Fe<sup>2+</sup><sub>4</sub>S<sup>2-</sup><sub>4</sub> Clusters of Dihydropyrimidine Dehydrogenase, the 5-Fluorouracil Cancer Drug Deactivation Protein: A Step towards In Silico Pharmacogenomics Studies.

Molecules (Basel, Switzerland)

相似文献

Molecules (Basel, Switzerland)

相关期刊

检索历史清除