Sentence examples for based on molecular modeling from inspiring English sources

We also propose the structural basis for the CP04-CCK2R basedng based on molecular modeling of the peptide-ligand interactions.

Quantum calculation results based on molecular modeling could further confirm the DSC and FTIR conclusions.

Thus, the structure and activity relationship is summarized and further discussed based on molecular modeling studies.

Based on molecular modeling, three novel derivatives of hydroxyflutamide (Compounds 1 3) were designed and synthesized.

The low interaction energy of Arg conjugate based on molecular modeling may contribute to its enhanced cytotoxicity.

We have designed and synthesized a series of heterocyclic bioisosteres for an anilide based on molecular modeling.

Based on molecular models, the disulfide bonds would form only if the engineered cysteines on adjacent subunits moved ∼5 Å.

This study describes the design and synthesis of molecularly imprinted polymers (MIPs) as patterned thin films, based on molecular modelling of functional monomer-template interactions and validation by NMR-spectroscopy.

Series of substituted 4,6-diamino-1,3,5-triazine-2-carbohydrazides and -carboxamides have been synthesised, based on molecular modelling of candidate structures related to the previously reported Rad6B-inhibitory diamino-triazinylmethyl benzoate anticancer agents TZ8 and TZ9.

Based on molecular modelling, L860P was suspected to result in destabilization of the protein.

The graphics are stylized and lack the details of those based on molecular models.