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  2. Molecular model - Wikipedia

    en.wikipedia.org/wiki/Molecular_model

    A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding chemistry and ...

  3. Molecular modelling - Wikipedia

    en.wikipedia.org/wiki/Molecular_modelling

    Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.

  4. Molecular models of DNA - Wikipedia

    en.wikipedia.org/wiki/Molecular_models_of_DNA

    Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid molecules using one of several means, with the aim of simplifying and presenting the essential, physical and chemical, properties of DNA molecular structures either in vivo or in vitro.

  5. CPK coloring - Wikipedia

    en.wikipedia.org/wiki/CPK_coloring

    A plastic ball-and-stick model of proline. These models usually comply with CPK coloring. In chemistry, the CPK coloring (for Corey–Pauling–Koltun) is a popular color convention for distinguishing atoms of different chemical elements in molecular models.

  6. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Car–Parrinello molecular dynamics; Comparison of force-field implementations; Comparison of nucleic acid simulation software; List of molecular graphics systems; List of protein structure prediction software; List of quantum chemistry and solid-state physics software; List of software for Monte Carlo molecular modeling

  7. Modelling biological systems - Wikipedia

    en.wikipedia.org/wiki/Modelling_biological_systems

    Modelling biological systems is a significant task of systems biology and mathematical biology. [a] Computational systems biology [b] [1] aims to develop and use efficient algorithms, data structures, visualization and communication tools with the goal of computer modelling of biological systems.

  8. Molecular dynamics - Wikipedia

    en.wikipedia.org/wiki/Molecular_dynamics

    Molecular dynamics simulations are often used to study biophysical systems. Depicted here is a 100 ps simulation of water. A simplified description of the standard molecular dynamics simulation algorithm, when a predictor-corrector-type integrator is used.

  9. Ball-and-stick model - Wikipedia

    en.wikipedia.org/wiki/Ball-and-stick_model

    A plastic ball-and-stick model of proline. In chemistry, the ball-and-stick model is a molecular model of a chemical substance which displays both the three-dimensional position of the atoms and the bonds between them. [1] The atoms are typically represented by spheres, connected by rods which represent the bonds.

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