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Parameterization of aromatic azido group: Application for Photoaffinity Probe in Molecular Dynamics Studies

The accuracy of molecular dynamics (MD) simulations is limited by the availability of parameters for the molecular system of interest. In most force fields parameters of common chemical groups are already present. With the development of novel small organic molecules as probes to study biological sy...

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Detalhes bibliográficos
Main Authors: Pieffet, Gilles, Petukhov, Pavel A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2745498/
https://ncbi.nlm.nih.gov/pubmed/19288146
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-009-0488-z
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