Sentence examples for based on molecular structural from inspiring English sources

Carbon nanotubes are modeled and computed based on molecular structural mechanics model.

A pseudo beam model with 3-node beam element is proposed to simulate the modal behavior of the wrinkled single-layered graphene sheets (SLGS) based on molecular structural mechanics (MSM) method.

The caries lesion induced by microbiological method seems to be quite more similar to the natural lesions, based on molecular and structural evaluations [ 24].

To circumvent the issue of lead compound toxicity, we performed screening based on molecular docking using structural databases of medical compounds.

The division of the antibodies into two groups was based on molecular weights and some structural motifs of the antibodies (Tables 1 and S1).

In this respect, we developed an integrated similarity index resulting from the weighted combination of a fingerprint array and three structural keys based on molecular descriptors.

Our efforts resulted in a comparative analysis of the performances on the two datasets of all the possible combinations of 9 fingerprint implementations and 44 similarity coefficients, followed by an exploration of a reasonable subset of all the possible weighting schemes for the fingerprint and the structural keys based on molecular descriptors.

Such cancer cells should ideally be identifiable based on molecular markers of the disease, rather than structural indirect information.

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

The AP method was chosen for benchmarking, because Chen and Reynolds (2002) showed that it outperforms other 2D structural descriptor-based similarity measures, such as the approach based on Molecular ACCess System (MACCS) keys proposed by Molecular Design Limited (MDL).

Classification based on molecular function showed that 27% had catalytic activity, 10% structural activity, 10% binding activity, 4% cell and 4% transporter activity.