نتایج جستجو برای: molecular mechanic

تعداد نتایج: 636505  

Journal: :Nucleic Acids Research 2006
Luigi Martino Ada Virno Antonio Randazzo Antonella Virgilio Veronica Esposito Concetta Giancola Mariarosaria Bucci Giuseppe Cirino Luciano Mayol

The solution structure of a new modified thrombin binding aptamer (TBA) containing a 5'-5' inversion of polarity site, namely d(3'GGT5'-5'TGGTGTGGTTGG3'), is reported. NMR and CD spectroscopy, as well as molecular dynamic and mechanic calculations, have been used to characterize the 3D structure. The modified oligonucleotide is characterized by a chair-like structure consisting of two G-tetrads...

2013
Man Hoang Viet Chun-Yu Chen Chin-Kun Hu Yun-Ru Chen Mai Suan Li

By the virtual screening method we have screened out Dihydrochalcone as a top-lead for the Alzheimer's disease using the database of about 32364 natural compounds. The binding affinity of this ligand to amyloid beta (Aβ) fibril has been thoroughly studied by computer simulation and experiment. Using the Thioflavin T (ThT) assay we have obtained the inhibition constant IC50 μM. This result is in...

Journal: :Physical chemistry chemical physics : PCCP 2015
Alberto Torres Renato B Pontes Antônio J R da Silva Adalberto Fazzio

We theoretically investigate, as a function of the stretching, the behaviour of the thermoelectric properties - the Seebeck coefficient (S), the electronic heat conductance (κel) and the figure of merit (ZT) - of a molecule-based junction composed of a benzene-1,4-dithiolate molecule (BDT) coupled to Au(111) surfaces at room temperature. We show that the thermoelectric properties of a single mo...

2015
Gustavo Echeverría-Fonseca Patricia A. Mera-Ruiz Jenny Carrillo-Toro Richar Rodriguez-Hidalgo

*Correspondence: Richar Rodriguez-Hidalgo, Central University of Ecuador, Faculty of Veterinary Medicine, International Centre for Zoonoses, Av. America s/n., 170517 Quito, Ecuador e-mail: [email protected] Modifications to the DNA isolation protocol from Cochliomyia spp., are suggested based on the Chelex® 100 reactive. To apply the sterile insect technique (SIT) program it is necessary to...

2006
Luigi Martino Ada Virno Antonio Randazzo Antonella Virgilio Veronica Esposito Concetta Giancola Mariarosaria Bucci Giuseppe Cirino Luciano Mayol

The solution structure of a new modified thrombin binding aptamer (TBA) containing a 50–50 inversion of polarity site, namely d( 0 GGT 0 0 TGGTGTGGTTGG0), is reported. NMR and CD spectroscopy, as well as molecular dynamic and mechanic calculations, have been used to characterize the 3D structure. The modified oligonucleotide is characterized by a chair-like structure consisting of two G-tetrads...

Journal: :Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics 1996
Hansen Kohler

We investigate chaotic scattering in a family of two dimensional Hamil-tonian systems. The potential in which a point particle scatters consists of a superposition of a nite number of central force potentials. Each central force potential is either attracting without any singularity, or attracting at long distances with a repelling singularity in the center motivated by potentials used in molec...

Journal: :Nucleic acids research 2004
Antonio Randazzo Veronica Esposito Oliver Ohlenschläger Ramadurai Ramachandran Luciano Mayola

The solution structure of a locked nucleic acid (LNA) quadruplex, formed by the oligomer d(TGGGT), containing only conformationally restricted LNA residues is reported. NMR and CD spectroscopy, as well as molecular dynamics and mechanic calculations, has been used to characterize the complex. The molecule adopts a parallel stranded conformation with a 4-fold rotational symmetry, showing a right...

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