141 research outputs found
Molecular interaction fields based descriptors to interpret and compare chromatographic indexes
HT Caco-2 permeability: the dominant role played by solutes’ hydrogen bonding donor properties
Physico-chemical characterization, permeability and molecular dynamics simulations of two series of structurally related macrocycles
The Block Relevance (BR) analysis to aid medicinal chemists to determine and interpret lipophilicity
GRID/BIOCUBE4mf to rank the influence of mutations on biological processes to design ad hoc mutants
Application of the anthraquinone drug rhein as an axial ligand in bifunctional Pt(IV) complexes to obtain antiproliferative agents against human glioblastoma cells
Personalized Treatment for Infantile Ascending Hereditary Spastic Paralysis Based on In Silico Strategies
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