Sentence examples for molecular modeling for from inspiring English sources

Trials to grow crystals for the complexes were failed, so molecular modeling for the Co II) and Ni II) complexes were done.

An amorphous piezoelectric polyimide containing polar functional groups has been developed using a combination of experimental and molecular modeling for potential use in high temperature applications.

Recently, a trend towards the use of in silico computational chemistry and molecular modeling for computer-aided drug design has gained significant momentum.

As the attention for drugs' HLA liability is on the rise, we believe this work participates in encouraging the use of molecular modeling for reliably studying and predicting HLA drug interactions.

The molecular modeling for the CT complex was performed by using CS Chem3D Ultra, version 9 (Cambridge Soft Corporation, Cambridge, MA, USA) implemented with molecular orbital computations software (MOPAC), and molecular dynamics computations software (MM2).

Recent collaborative work with Kubicki, et al., indicates the inclusion of not only a primary but also a secondary solvation shell of from 20 to 30 water molecules is necessary for accurate quantum mechanical molecular modeling for uranyl-organic ligands, including uranyl-catechol [41].

This discovery was the key factor that enabled Watson and Crick to formulate a molecular model for DNA a double helix, which can be likened to a spiraling staircase or a twisting ladder.

Computational molecular models for HS began to appear in the 1990s.

This insight has led to the development of a biologically plausible molecular model for synapse modification in the cerebral cortex.

The present work describes a molecular model for the binary complex CDK9 flavopiridol.

The present work describes two molecular models for the binary complexes CDK1 roscovitine and CDK1 flavopiridol.