Add to ORKGElectronic structures, Conformational Analysis, effect of the substitution and structure activity Relationships for macrodiolides, have been studied by PM3 and ab initio methods. In the present work, the calculated values, namely net charges, bond lengths, MESP, dipole moments, electron-affinities, heats of formation, drug-likeness and QSAR properties, are reported and discussed in terms of the biological activity of macrodiolides
The integration of computational methods into the drug discovery process provides valuable tools to ...
Computational tools are utilized in the drug discovery process to discover, design, and optimize new...
Purpose: To predict activity and reveal the pharmacophore (Pha) with certain electronic and topologi...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Conformational analysis of the macrolides from 12 to 22 links was carried out using molecular mechan...
Le présent travail concerne une recherche fondamentale sur la relation structure - activité dans des...
License, which permits unrestricted use, distribution, and reproduction in any medium, provided the ...
After the discovery of erythromycin and other natural compounds, including oleandomycin, spiramycin,...
Macrocycles form an important compound class in medicinal chemistry due to their interesting structu...
The conformationally controlled reactions of macrolides 42, 43, 72 and 74 were investigated. Treatme...
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of s...
Relation of electronic structures with their anti malaria activities on artemisinin derivatives was ...
This thesis is concerned with the search, on an empirical basis, for quantitative structure/activity...
Carbon-13(^(13)C NMR) chemical shifts are reported and assigned for a series of naturally occurring ...
The integration of computational methods into the drug discovery process provides valuable tools to ...
Computational tools are utilized in the drug discovery process to discover, design, and optimize new...
Purpose: To predict activity and reveal the pharmacophore (Pha) with certain electronic and topologi...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Electronic structures, Conformational Analysis, effect of the substitution and structure activity Re...
Conformational analysis of the macrolides from 12 to 22 links was carried out using molecular mechan...
Le présent travail concerne une recherche fondamentale sur la relation structure - activité dans des...
License, which permits unrestricted use, distribution, and reproduction in any medium, provided the ...
After the discovery of erythromycin and other natural compounds, including oleandomycin, spiramycin,...
Macrocycles form an important compound class in medicinal chemistry due to their interesting structu...
The conformationally controlled reactions of macrolides 42, 43, 72 and 74 were investigated. Treatme...
DOLEŽAL Rafael: Quantitative relationships between the structure and antimycobacterial activity of s...
Relation of electronic structures with their anti malaria activities on artemisinin derivatives was ...
This thesis is concerned with the search, on an empirical basis, for quantitative structure/activity...
Carbon-13(^(13)C NMR) chemical shifts are reported and assigned for a series of naturally occurring ...
The integration of computational methods into the drug discovery process provides valuable tools to ...
Computational tools are utilized in the drug discovery process to discover, design, and optimize new...
Purpose: To predict activity and reveal the pharmacophore (Pha) with certain electronic and topologi...