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Understanding the comparative molecular field analysis (CoMFA) in terms of molecular quantum similarity and DFT-based reactivity descriptors
(Springer, 2015)
The three-dimensional quantitative structure-activity relationship (3D QSAR) models have many applications, although the inherent complexity to understand the results coming from 3D-QSAR arises the necessity of new insights ...
Quantitative Structure-Activity Relationship of Organosulphur Compounds as Soybean 15-Lipoxygenase Inhibitors Using CoMFA and CoMSIA
(WILEY-BLACKWELL PUBLISHING, INC, 2010)
Three-dimensional quantitative structure-activity relationship studies were carried out on a series of 28 organosulphur compounds as 15-lipoxygenase inhibitors using comparative molecular field analysis and comparative ...
MOLECULAR-FORCE FIELD OF METHANOL
(Marcel Dekker IncNew York, 1993)
Inhibitors of Trypanosoma brucei trypanothione reductase: comparative molecular field analysis modeling and structural basis for selective inhibition
(Future ScienceLondon, 2013-10)
Background: Sleeping sickness is a major cause of death in Africa. Since no secure treatment is available, the development of novel therapeutic agents is urgent. In this context, the enzyme trypanothione reductase (TR) is ...
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 ...
Molecular karyotype analysis and mapping of housekeeping genes to chromosomes of selected species complexes of Leishmania
(Fundação Oswaldo Cruz. Instituto Oswaldo Cruz., 2019)
Molecular characterization and cluster analysis of field isolates of avian infectious laryngotracheitis virus from Argentina
(Frontiers Media S.A., 2017-12)
Avian infectious laryngotracheitis (ILT) is a worldwide infectious disease that causes important economic losses in the poultry industry. Although it is known that ILT virus (ILTV) is present in Argentina, there is no ...