Sentence examples for modeling studies revealed from inspiring English sources

Molecular modeling studies revealed different docking poses for the investigated compounds in homology models of 5-HT1A and 5-HT7 receptors, which explained their experimentally determined affinities and general low selectivity.

Hydrogeological data and previous modeling studies revealed hydraulic interconnection between aquifers.

X-ray crystallography and molecular modeling studies revealed the inhibitor-enzyme interactions responsible for this selectivity.

Kinetic and molecular modeling studies revealed that 14c was a mixed-type inhibitor, binding simultaneously to catalytic, peripheral and mid-gorge sites of AChE.

Molecular modeling studies revealed that compound 6g could strongly bind to the colchicine binding site of α,β-tubulin through hydrogen bond interactions with Thrα179 and Cysβ241.

Molecular modeling studies revealed a unique binding mode of tBPA in the active site that may shed light on the potency of this inhibition.

Further experimental and modeling studies reveal that WCS can accommodate substantial compression from the bending and flattening of the curved layers, resulting in minimum stretching of individual layers.

Pharmacophore modeling study revealed that these compounds are able to effectively satisfy the proposed common feature sites using energy accessible conformers (Econf < 20 kcal/mol).

Consistently with this, molecular modeling study revealed that the triazole part of 39 could provide additional interactions to the S3′ subsite of renin active site.

Both the inhibition kinetic analysis and molecular modeling study revealed that these compounds showed mixed-type inhibition, binding simultaneously to the CAS and PAS of AChE.

Based on this modeling approach, simulation studies revealed that the architecture of keratin networks mostly depends on the balance between filament elongation and branching processes.