Modeling the Mechano-Chemistry of NTPases

Xing, J

关键词: CELL DIVISION;    DISEASES;    DNA;    FLUCTUATIONS;    MOTORS;    PATHOGENS;    PROTEINS;    SIMULATION;    TRANSCRIPTION;   

DOI  :  10.2172/902335
RP-ID  :  UCRL-TR-228269
PID  :  OSTI ID: 902335
Others  :  TRN: US200717%%546

学科分类：生物科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

This project is to develop theoretical framework for protein motors based on experimental data. Protein motors use chemical and electrochemical energies to perform mechanical work. Protein motors are machines of life. They are essential for many biological processes, including cell division, DNA transcription, replication, etc. Understanding the working mechanisms of protein motors has both scientific and medical/clinical significances, including revealing the physiological origins of certain diseases, designing of drugs against pathogens. Experiments with new techniques, especially recent advances in single molecule force measurements, have accumulated a large amount of experimental data that requires systematic theoretical analysis. We worked out a theoretical analysis on protein fluctuations to explain the recent single molecule experiment on dynamic disorders, proposed a new mechanism to explain mechanical signal propagation through the allosteric effect, a fundamental property of proteins, and examined the dynamic disorder effects on protein interaction networks. We also examined various theoretical formulations describing mechanical stress propagation in proteins, and derived mathematical formula for various approximate methods solving the mathematical equations.