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The chemical structure of DNA is insufficient to understand the complexity of the 3D structures of DNA. In contrast, animated molecular models allow one to visually explore the three-dimensional (3D) structure of DNA. The DNA model shown (far right) is a space-filling, or CPK, model of the DNA double helix. Animated molecular models, such as ...
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.
The ABC was founded in 2001 during an informal meeting led by a group of scientist that was attending to the "Atomistic to Continuum Models for Long Molecules" conference in Ascona, Switzerland. The consortium started by joining efforts from nine laboratories with expertise in DNA molecular dynamics and sequence-dependent DNA effects. [1]
The two base-pair complementary chains of the DNA molecule allow replication of the genetic instructions. The "specific pairing" is a key feature of the Watson and Crick model of DNA, the pairing of nucleotide subunits. [5] In DNA, the amount of guanine is equal to cytosine and the amount of adenine is equal to thymine. The A:T and C:G pairs ...
Geometrical modeling can detect strain stemming from misalignments in the structure, which can then be corrected by the designer. [4] [11] Geometric models of nucleic acids for DNA nanotechnology generally use reduced representations of the nucleic acid, because simulating every atom would be very computationally expensive for such large systems.
Molecular models may be created for several reasons – as pedagogic tools for students or those unfamiliar with atomistic structures; as objects to generate or test theories (e.g., the structure of DNA); as analogue computers (e.g., for measuring distances and angles in flexible systems); or as aesthetically pleasing objects on the boundary of ...
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Nucleic acid structure prediction; Molecular Modelling; Molecular modeling on GPUs; Molecular graphics; Molecular mechanics; Molecular dynamics; Molecular design software