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Two structural features of the DNA molecule provide a basis for the mechanisms of heredity: the four nucleotide bases and its double-stranded nature. The Watson-Crick model of double-helical DNA structure, proposed in 1952, drew heavily upon the X-ray crystallography work of researchers Rosalind Franklin and Maurice Wilkins. Watson, Crick, and Wilkins jointly received the Nobel Prize in Physiology or Medicine for their work in 1962. Franklin was, controversially, excluded from the prize for...
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Structure-Based Simulation and Sampling of Transcription Factor Protein Movements along DNA from Atomic-Scale Stepping to Coarse-Grained Diffusion
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Multiscale simulation of DNA.

Pablo D Dans1, Jürgen Walther1, Hansel Gómez1

  • 1Institute for Research in Biomedicine (IRB Barcelona), The Barcelona Institute of Science and Technology, Baldiri Reixac 10-12, 08028 Barcelona, Spain; Joint BSC-IRB Research Program in Computational Biology, Baldiri Reixac 10-12, 08028 Barcelona, Spain.

Current Opinion in Structural Biology
|December 29, 2015
PubMed
Summary
This summary is machine-generated.

Theoretical methods offer insights into DNA structure and function across scales. This review covers recent computational approaches for studying DNA from electrons to chromosomes.

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Area of Science:

  • Molecular Biology
  • Biophysics
  • Computational Chemistry

Background:

  • Deoxyribonucleic acid (DNA) is central to life, studied via diverse techniques.
  • DNA's multiscale nature poses challenges for theoretical understanding.
  • Research spans electronic distributions to chromatin fiber mechanics.

Purpose of the Study:

  • To review recent theoretical methods for DNA research.
  • To bridge the gap between theoretical insights and practical applications.
  • To enhance understanding of DNA structure and function.

Main Methods:

  • Focus on recent theoretical and computational approaches.
  • Covers methods applicable from molecular to chromosomal levels.
  • Integrates techniques addressing femtosecond to year-long processes.

Main Results:

  • Recent theoretical methods provide detailed insights into DNA.
  • These methods address DNA's multiscale and multi-temporal characteristics.
  • Knowledge of DNA structure, function, and dynamics is enriched.

Conclusions:

  • Theoretical methods are crucial for a comprehensive understanding of DNA.
  • Recent advancements enable study across diverse scales and timescales.
  • This review highlights key computational tools for DNA research.