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This study reports the crystal structure and geometric parameters of a modified Finasteride derivative, highlighting significant differences in dihedral angles compared to its solvated analog and computational models.

This study analyzed the geometric and electronic properties of baicalin conformers, finding that BCLa2TT and BCLa1TT conformers exhibit high stability in aqueous solutions and are favorable for interactions with positively charged species.

This study used Density Functional Theory-based computational methods to analyze finasteride's molecular properties, finding that the GGA/PW91 method closely matches experimental data for vibrational frequencies and geometric parameters.

This article updates a prior work on pharmacophore modeling and highlights the advances in 3D database searching technologies for drug design, without presenting new research findings.

This study used molecular dynamics simulations to illustrate the complex molecular behavior of the hair surface F-layer, highlighting how fatty acids interact with 18-MEA under different conditions.