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分子动力学模拟指导分析地氟沙星与金黄色葡萄球菌回旋酶突变体之间的相互作用

IF 1.9 4区 化学 Q4 CHEMISTRY, PHYSICAL
Molecular Simulation Pub Date : 2024-03-27 DOI:10.1080/08927022.2024.2332453
Subhadip Saha, Harshita Tiwari, Monidipa Ghosh
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引用次数: 0

摘要

金黄色葡萄球菌是一种毒性极强的医院病原体，可产生多种致病因子，引发致命疾病。Delafloxacin 是一种氟喹诺酮类抗生素，针对金黄色葡萄球菌的...
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Molecular dynamics simulation guided analysis of the interaction between delafloxacin and Staphylococcus aureus gyrase mutants
Staphylococcus aureus is a highly virulent nosocomial pathogen producing a wide array of virulence factors to orchestrate a deadly disease. Delafloxacin is a fluoroquinolone antibiotic targeting gy...
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来源期刊
Molecular Simulation
Molecular Simulation 化学-物理：原子、分子和化学物理
CiteScore
3.80
自引率
9.50%
发文量
128
审稿时长
3.1 months
期刊介绍： Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.
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