Study of the binding mechanism between aptamer GO18-T-d and gonyautoxin 1/4 by molecular simulation
文献信息
Shunxiang Gao, Xin Zheng, Dejing Liu, Mingjuan Sun, Jiaxiang Qin, Hao Zhou, Lianghua Wang
GTX1/4 can induce the formation of an antiparallel G-quadruplex structure in aptamer GO18-T-d and combine steadily in the groove at the top of the G-quadruplex structure. The complex structures and special induced fit mechanism between aptamer and small molecules provide a reference for aptamer development in molecular diagnostics and therapeutic application.
期刊推荐

European Journal of Wood and Wood Products

Science Progress

Pharmacological Reviews

Pure and Applied Chemistry

Kinetics and Catalysis

Proceedings of the National Academy of Sciences of the United States of America

Journal of Catalysis

Nature

Journal of Organometallic Chemistry

Journal of Heterocyclic Chemistry
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来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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