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Molecular models of DNA structures are rep … Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid (DNA) 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. These representations include closely packed spheres (CPK models) made of plastic, metal wires for skeletal models, graphic computations and animations by computers, artistic rendering. Computer molecular models also allow animations and molecular dynamics simulations that are very important for understanding how DNA functions in vivo. The more advanced, computer-based molecular models of DNA involve molecular dynamics simulations and quantum mechanics computations of vibro-rotations, delocalized molecular orbitals (MOs), electric dipole moments, hydrogen-bonding, and so on. DNA molecular dynamics modeling involves simulating deoxyribonucleic acid (DNA) molecular geometry and topology changes with time as a result of both intra- and inter- molecular interactions of DNA. Whereas molecular models of DNA molecules such as closely packed spheres (CPK models) made of plastic or metal wires for skeletal models are useful representations of static DNA structures, their usefulness is very limited for representing complex DNA dynamics. Computer molecular modeling allows both animations and molecular dynamics simulations that are very important to understand how DNA functions in vivo.t to understand how DNA functions in vivo.
, Els models moleculars de les estructures d … Els models moleculars de les estructures de l'ADN són representacions de la topologia i la geometria molecular de l'àcid desoxiribonucleic (ADN) fent ús d'un dels diversos mètodes que existeixen per a fer-ho. Tenen com a principal objectiu simplificar i presentar les propietats essencials, tant físiques com químiques, de les estrucutres moleculars de l'àcid desoxiribonucleic en la seva forma in vivo i in vitro. Aquestes representacions consisteixen en esferes condensades fetes de plàstic (models de ), filferros metàl·lics per a l'esquelet, càlculs gràfics i animacions artístiques fetes mitjançant un ordinador. A més, aquests models informatitzats de l'ADN permeten fer representacions animades i simulacions dinàmiques de la seva estructura que són de gran importància per a la comprensió de com treballa in vivo la molècula d'ADN. Els models moleculars de l'ADN més innovadors fets a partir de programes informàtics inclouen simulacions de les seves dinàmiques moleculars, així com càlculs de la mecànica quàntica dels moviments vibracionals i rotacionals, dels orbitals moleculars deslocalitzats (abreviatura anglesa: MOs), dels moments dipolars elèctrics i dels ponts d'hidrogen, entre d'altres. En aquestes representacions també s'hi poden trobar simulacions de la geometria molecular de l'ADN i canvis en la seva topologia produïts al llarg del temps causats per les interaccions tant intra com intermoleculars d'aquesta molècula. Mentre que els models moleculars de l'àcid desoxiribonucleic (ADN) com els consistents en esferes condensades (models ) fetes de plàstic i filferro pels braços de l'esquelet són útils per a les representacions estàtiques de l'estructura de la molècula, tenen poca funcionalitat per a les representacions complexes de les dinàmiques de l'ADN. Els models informatitzats de la molècula permeten animacions i simulacions dinàmiques que, com s'ha expressat anteriorment, tenen una gran importància per a l'estudi del funcionament de l'ADN in vivo.'estudi del funcionament de l'ADN in vivo.
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At left, the chemical structure of DNA showing the base-pairing. This depiction of a DNA duplex lacks information about the molecule's three-dimensional structure, at right.
, Left, the major steps involved in DNA stru … Left, the major steps involved in DNA structure determination by X-ray crystallography showing the important role played by molecular models of DNA structure in this iterative process. Right, an image of actual A- and B- DNA X-ray patterns obtained from oriented and hydrated DNA fibers .ed from oriented and hydrated DNA fibers .
, While this purified DNA precipitated in a water jug appears to be a formless mass, at the nanoscale, nucleic acids possess intricate structure .
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Els models moleculars de les estructures d … Els models moleculars de les estructures de l'ADN són representacions de la topologia i la geometria molecular de l'àcid desoxiribonucleic (ADN) fent ús d'un dels diversos mètodes que existeixen per a fer-ho. Tenen com a principal objectiu simplificar i presentar les propietats essencials, tant físiques com químiques, de les estrucutres moleculars de l'àcid desoxiribonucleic en la seva forma in vivo i in vitro. Aquestes representacions consisteixen en esferes condensades fetes de plàstic (models de ), filferros metàl·lics per a l'esquelet, càlculs gràfics i animacions artístiques fetes mitjançant un ordinador. A més, aquests models informatitzats de l'ADN permeten fer representacions animades i simulacions dinàmiques de la seva estructura que són de gran importància per a la comprensió de e gran importància per a la comprensió de
, Molecular models of DNA structures are rep … Molecular models of DNA structures are representations of the molecular geometry and topology of deoxyribonucleic acid (DNA) 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. These representations include closely packed spheres (CPK models) made of plastic, metal wires for skeletal models, graphic computations and animations by computers, artistic rendering. Computer molecular models also allow animations and molecular dynamics simulations that are very important for understanding how DNA functions in vivo.r understanding how DNA functions in vivo.
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, Molecular models of DNA
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