Sentence examples for molecular modeling have from inspiring English sources

The advances in molecular modeling have been significant.

Many structural modifications of peptides guided by rational design and molecular modeling have been established to develop novel synthetic approaches.

We show that structural biology experiments and molecular modeling have led to the successful design of novel drugs targeting mutant M2 channels.

In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes.

NMR and molecular modeling have been in great part the methods of choice to study the structural and recognition properties of GAGs and their protein complexes.

Ekins and his colleagues by using machine learning models and molecular modeling have successfully identified from collection of 2320 compounds 3 promising anti Ebola compounds with in vitro nanomolar activity.

Molecular modeling has shown that C16-E2O-C16 binds in the proximity of hydrophobic moieties (Trp-62/108).

Molecular modeling has been used to suggest the structure of the complexes.

Molecular modeling has unraveled significant structural differences in these enzymes with respect to their mesophilic counterparts.

It is the authors' view that molecular modeling has become sufficiently robust to be a standard tool in molecular biology.

Comprehensive molecular modeling has been performed for all synthesized compounds giving rationales of ligand enzyme interactions with thrombin and trypsin.