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Structure and stability of (α-CD)3 aggregate and OEG@(α-CD)3Pseudorotaxane in aqueous solution: a molecular dynamics study
(ACS Publications; American Chemical Society, 2017)
Desenvolvimento da microscopia de força química usando modelagem molecular
(Universidade Federal de São CarlosBRUFSCarPrograma de Pós-Graduação em Ciência dos Materiais - PPGCM-So, 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 ...
The Ara OB1 Association and its molecular complex
(Astronomical Society of the Pacific, 2005-12)
Carbon monoxide (12CO J= 1 ?¨ 0) line observations toward the OB association Ara OB1 are reported. The molecular features that are likely to be associated with the OB-association span a velocity range from -28 to -20 ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...
Multiple minima hypersurfaces procedures for biomimetic ligands screening
(2011-09-08)
In this work the interaction of the pesticide carbaryl with two groups of biomimetic ligands, peptides and MIPs was screened by multiple minima hypersurfaces (MMH) procedures, through the AM1 semiempirical method. Data ...
Advanced Molecular Surveillance of Hepatitis C Virus
(Mdpi Ag, 2015-03-01)
Hepatitis C virus (HCV) infection is an important public health problem worldwide. HCV exploits complex molecular mechanisms, which result in a high degree of intrahost genetic heterogeneity. This high degree of variability ...