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Related Experiment Video

Updated: Jun 5, 2026

Simple and Robust in vivo and in vitro Approach for Studying Virus Assembly
09:47

Simple and Robust in vivo and in vitro Approach for Studying Virus Assembly

Published on: March 1, 2012

Computational approaches to modeling viral structure and assembly.

Stephen C Harvey1, Anton S Petrov, Batsal Devkota

  • 1School of Biology, Georgia Institute of Technology, Atlanta, Georgia, USA.

Methods in Enzymology
|December 29, 2010
PubMed
Summary
This summary is machine-generated.

Molecular modeling aids in refining biological macromolecular structures determined by X-ray crystallography, NMR, and cryo-EM. These methods, including all-atom and coarse-grained approaches, also generate new models from limited data.

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Last Updated: Jun 5, 2026

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Structure of HIV-1 Capsid Assemblies by Cryo-electron Microscopy and Iterative Helical Real-space Reconstruction

Published on: August 9, 2011

Area of Science:

  • Structural biology
  • Computational biophysics

Background:

  • Experimental methods like X-ray crystallography, NMR, and cryo-EM determine macromolecular structures.
  • Refining these large, complex structures is challenging due to extensive datasets and numerous degrees of freedom.

Purpose of the Study:

  • To summarize molecular mechanics methods for investigating viral structure and assembly.
  • To highlight the application of both all-atom and coarse-grained modeling techniques.

Main Methods:

  • Utilizing molecular mechanics principles for structure refinement.
  • Employing all-atom and coarse-grained simulation approaches.
  • Generating de novo models with limited experimental data.

Main Results:

  • Molecular modeling assists in refining experimentally determined macromolecular structures.
  • Molecular mechanics enables the generation of new structural models.
  • These models offer insights into structure-function relationships and thermodynamic properties.

Conclusions:

  • Molecular mechanics is a valuable tool for studying viral structure and assembly.
  • Both all-atom and coarse-grained methods are applicable to these investigations.
  • Computational modeling complements experimental data for a comprehensive understanding.