DFT modeling of biological systems (Articolo in rivista)

Type
Label
  • DFT modeling of biological systems (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Alternative label
  • Raugei, S; Gervasio, FL; Carloni, P (2006)
    DFT modeling of biological systems
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Raugei, S; Gervasio, FL; Carloni, P (literal)
Pagina inizio
  • 2500 (literal)
Pagina fine
  • 2515 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 243 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • SISSA, ISAS, I-34014 Trieste, Italy; INFM, DEMOCRITOS Modeling Ctr Res ATOmist Simulat, I-34014 Trieste, Italy; Swiss Fed Inst Technol, Dept Chem & Appl Biosci, CH-6900 Lugano, Switzerland (literal)
Titolo
  • DFT modeling of biological systems (literal)
Abstract
  • Biological systems are particularly challenging to model with first-principles quantum mechanical methods. This difficulty arises both from the size of the bio-molecules and from the complexity of the phenomena in which they are involved. Yet many problems of great biological interest can be treated only by first-principle methods. Here we outline the state-of-the art of ab initio (Density Functional Theory, DFT) biological modeling by presenting a brief survey of new trends in the development of algorithms as well as few representative applications. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. (literal)
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