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Torsional Mechanics of DNA Are Regulated by Small-Molecule Intercalation
(AMER CHEMICAL SOC, 2010)
Whether the bend and twist mechanics of DNA molecules are coupled is unclear. Here, we report the direct measurement of the resistive torque of single DNA molecules to study the effect of ethidium bromide (EtBr) intercalation ...
DFT calculation of core-electron binding energies
(Elsevier Science BvAmsterdamHolanda, 2003)
Negatively charged donors in semiconductor quantum wells in the presence of longitudinal magnetic and electric fields
(Iop Publishing LtdBristolInglaterra, 2002)
Energy loss of protons in Wolframiun using fully relativistic binding energies and wave functions, and mean excitation energies of W, Au, Pb and Bi
(American Physical Society, 2009-12)
We present a theoretical study on the energy loss of protons in wolframium by calculating target fully relativistic wave functions and binding energies. The HULLAC code is employed to obtain numerical solutions of the Dirac ...
Uncoupling the Folding and Binding of an Intrinsically Disordered Protein
(Academic Press Ltd - Elsevier Science Ltd, 2018-08)
The relationship between helical stability and binding affinity was examined for the intrinsically disordered transactivation domain of the myeloblastosis oncoprotein, c-Myb, and its ordered binding partner, KIX. A series ...
The Influence of Solutes on the Enthalpy/Entropy Change of the Actinomycin D Binding to DNA: Hydration, Energy Compensation and Long-Range Deformation on DNA
(Amer Chemical Soc, 2011-07-21)
The effects of the changes in the temperature and in the water chemical potential on the energetic of the actinomycin D (ACTD) interaction with natural DNA are studied. At reduced water chemical potential, induced by the ...
The Influence of Solutes on the Enthalpy/Entropy Change of the Actinomycin D Binding to DNA: Hydration, Energy Compensation and Long-Range Deformation on DNA
(Amer Chemical Soc, 2011-07-21)
The effects of the changes in the temperature and in the water chemical potential on the energetic of the actinomycin D (ACTD) interaction with natural DNA are studied. At reduced water chemical potential, induced by the ...
Developing an automated MMGBSA-based protocol to es•timate binding free energies of protein-ligand complexes
(2014)
Computer-aided drug design1 have had a high relevance in the inves ga on of the interac on of small organic molecules
with molecular targets of clinical interest, being the most fundamental goal the predic on of whether ...