Sentence examples for based on molecular docking from inspiring English sources

Based on molecular docking and rational design method, a series of multi-substituted benzyl acridone derivatives were designed and synthesized.

Our investigations based on molecular docking and structure activity relationship (SAR) studies elucidated structural determinants affecting the potency at PPARα.

To resolve these concerns, we have developed a rational approach based on molecular docking analysis and have designed, synthesized AAAs, and validated the approach by experimental studies.

Based on molecular docking and our previous studies, we rationally designed a new series of azaacridine derivatives as potent EGFR and Src dual inhibitors.

Based on molecular docking analysis of earlier results, we designed a series of 2,5-disubstituted furans/pyrroles (5a h) as HIV-1 entry inhibitors.

Based on molecular docking results and CoMFA contour plots, new inhibitors with higher activity with respect to the most active compound in data set were designed.

A series of di-indolinone derivatives was designed and synthesized to optimize our lead compounds basing on molecular docking study as PTP1B inhibitors.

Based on molecular modeling experiments and manual docking of each of tricetin, selgin and tricin into the model, several H-bonds can be observed within 1.53 to 2.61Å from the ligands and the functional groups of neighboring residues, and within 4.92 to 6.56Å from the catalytic site SAH-S (Table 1).

Computational analysis based on a molecular docking approach underlined the potential structural requirements for simultaneously targeting both proteins' allosteric sites.

Based on the molecular docking analysis compound 3g optimization work was performed, and then a new structure backbone of N-nitrourea compound was designed for further research.

Based on the molecular docking results, the binding modes of the chain cyclic peptides in the active center of SHP2 were discussed.