Sentence examples for based on molecular modelling from inspiring English sources

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.

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.

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

They are mainly based on molecular modelling, cross-reactive IgE epitope mapping, epitope grafting [ 16, 17], site-directed mutagenesis [ 18, 19] or overlapping peptides representing allergens [ 20].

The putative RNA polymerase association loop domain was identified in prokaryotic and plastid-encoded response regulators based on molecular modelling for Trg1, PhoB, and OmpR [31].

It has been suggested, based on molecular modelling, that when Bim binds to Bax, it displaces helix 8 owing to a clash between C-terminal regions of the BimBH3 and T167 on Bax.

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.

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

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

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