Understanding how proteins, such as transcription factors, search target sites on DNA and in cell environments for genetic regulation, is fundamentally important in molecular biophysics. After about fifty years of experimental and theoretical approaches, models such as facilitated diffusion of protein on DNA, have been well formulated, yet physical understanding, from local structure dynamics to genome-wide search mechanisms, remains limited due to complications of protein-DNA interactions and heterogeneous chromatin configurations. With technological advancements, from structural determination of protein-DNA complexes and high-performance computing, to genome-wide ChIP-seq and high-resolution live-cell imaging and tracking, there are new opportunities to substantially improve existing knowledge. The current method collection brings together recent computational and experimental approaches, utilizing the above advanced technologies, supplying protocols and details to elucidate key technique issues, and reducing barriers to make these techniques transferable and reproducible. To probe protein-DNA interactions from the bottom-up, structure-based molecular dynamics simulation techniques, from atomic to coarse-grained levels are used, along with methods for enhanced or distributed sampling and dimension-reduction representation. With regards to the top-down cellular scale, high throughput protein profiling and statistical data learning help to interrogate protein-DNA association throughout the genome, while real-time single-molecule tracking and imaging essentially demonstrate how proteins search via diffusion and clustering, individually and collectively. Overall, this collection aims at promoting transparency and reproducibility for implementing a myriad of quantitative techniques, facilitating collaborative efforts for improving understanding, and accelerating future developments.
0 Views
•
Cited by 2
•
2022
•
1Beijing Computational Science Research Center, 2Shenzhen JL Computational Science and Applied Research Institute, 3School of Medical Informatics and Engineering, Xuzhou Medical University, 4Key Laboratory of Systems Biomedicine (Ministry of Education), Shanghai Center for Systems Biomedicine, Shanghai Jiao Tong University, 5Department of Physics and Astronomy, University of California, Irvine, 6Department of Chemistry, University of California, Irvine, 7NSF-Simons Center for Multiscale Cell Fate Research, University of California, Irvine
Elucidation of the translocation dynamics of AlkD along dsDNA by Markov State Models
Lu ZHANG*1,
Xiaowei WANG2,
Eshani Goonetilleke3
1Fujian Institute of Chinese Academy of Sciences, China,
2HKUST FYT Research Institute,
3chemistry department, HKUST
Scanning FRET-FCS to capture one-dimensional translocation of protein along double-stranded DNA
Chen Yang1,
Sijia Peng1,
Chunlai Chen*1,
Xin Sheng Zhao*2
1School of Life Sciences; Beijing Advanced Innovation Center for Structural Biology; Beijing Frontier Research Center for Biological Structure, Tsinghua University, Beijing, China.,
2Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Department of Chemical Biology, College of Chemistry and Molecular Engineering, and Biomedical Pioneering Innovation Center (BIOPIC), Peking University, Beijing 100871, China.