Now showing items 1-10 of 8698
Desenvolvimento da microscopia de força química usando modelagem molecular
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-graduação em Ciências dos Materiais (campus SOROCABA), 2013-03-19)
In this work was developed a prototype of a new nanobiosensor with molecular specificity through a study of theoretical models of Chemical Force Microscope. For the sensing were used molecular modeling techniques as well ...
A MOLECULAR MODEL POTENTIAL STUDY OF MOLECULAR WIRES: I SIMPLE LINEAR CHAIN
(Sociedad Chilena de Química, 2007)
Minimal Molecular Models for the Study of Nanostructures
(AMER SCIENTIFIC PUBLISHERS, 2009-06)
The existence of a minimal molecular model to represent some electronic properties of nanostructures is analyzed for several kinds of nanotubes and graphene surfaces by using the Extended Hückel Theory. It is shown that ...
Modeling and molecular dynamics indicate that snake venom phospholipase B-like enzymes are Ntn-hydrolases
Phospholipase-B-like (SVPLB-like) enzymes are present in relatively small amounts in a number of venoms, however, their biological function and mechanisms of action are un-clear. A three-dimensional model of the SVPLB-like ...
Design Of A New Molecularly Imprinted Polymer Selective For Hydrochlorothiazide Based On Theoretical Predictions Using Gibbs Free Energy
(Soc Brasileira QuimicaSÃ£o Paulo, 2016)
Modelagem molecular aplicada ao desenvolvimento de moléculas com atividade antioxidante visando ao uso cosmético
Some hypotheses and constants studies are made with intention to elucidate the aging process. To prevent and to attenuate the cutaneous aging it becomes necessary to strengthen our endogenous antioxidant natural defenses. ...
A novel set of ss-N-biaryl ether sulfonamide hydroxamates as potential MMPs inhibitors: Molecular dynamics simulations and molecular properties evaluation
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 ...