Buscar
Mostrando ítems 1-10 de 1413
Current trends in molecular modeling methods applied to the study of cyclodextrin complexes
(Springer, 2018-02)
In this review the authors present an overview of different molecular modeling campaigns dealing with the study and characterization of cyclodextrins (CDs) inclusion complexes with applicability to diverse biomedical and ...
Calculation of the diffusion coefficient of thiophene oligomers using molecular dynamics
(Taylor & Francis Ltd, 2012-09)
Electropolymerisation is a very useful methodology for conducting polymers synthesis. A total comprehension of this process will help on the designing of new materials with improved optical and electrical properties. In ...
Interactions of chlorpromazine with phospholipid monolayers: Effects of the ionization state of the drug
(Elsevier Science BvAmsterdamHolanda, 2007)
Propriedades dinâmicas de fluidos por simulação computacional: métodos híbridos atomístico-contínuo
(Sociedade Brasileira de Química, 2010)
Computational methods for the calculation of dynamical properties of fluids might consider the system as a continuum or as an assembly of molecules. Molecular dynamics (MD) simulation includes molecular resolution, whereas ...
Electromagnetic form factor of the pion in the space- and time-like regions within the front-form dynamics
(2004-02-12)
The pion electromagnetic form factor is calculated in the space- and time-like regions from -10 (GeV/c)2 up to 10 (GeV/c)2, within a front-form model. The dressed photon vertex where a photon decays in a quark-antiquark ...
Role of the range of the dipole function in the classical dynamics of molecular dissociation
(2013-01-03)
The dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses is investigated within the framework of the classical driven Morse oscillator. The interaction between the molecule and the ...
Role of the range of the dipole function in the classical dynamics of molecular dissociation
(2013-01-03)
The dissociation dynamics of heteronuclear diatomic molecules induced by infrared laser pulses is investigated within the framework of the classical driven Morse oscillator. The interaction between the molecule and the ...
A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation
(WILEY-BLACKWELLHOBOKEN, 2013-08-02)
Matrix metalloproteinases (MMPs) constitute a family of zinc-dependent proteases involved in the extracellular matrix degradation. MMP-2 and MMP9 are overexpressed in several human cancer types, including melanoma, thus ...