Sentence examples for molecular modelling and from inspiring English sources

Molecular modelling and computational conformation prediction are therefore commonly used tools for three dimensional structure studies.

Luscus is a novel program for molecular modelling and analysis of results from quantum-chemical program packages.

To further study the structure function relationship, molecular modelling and dynamics simulation were exploited.

This variation was explained by using, for the first time, molecular modelling and docking.

Enzyme engineering by molecular modelling and site-directed mutagenesis can be remarkably efficient.

Crystallographic analysis confirmed predictions from molecular modelling and helped refine SAR results.

Molecular modelling and simulation of the surface tension of fluids with force fields are discussed.

Molecular modelling and conformational analysis of titanocenes were performed by using the default parameters of MM+ functionality from the HyperChem 5.11 package [35].

Computational methods can be principally grouped into three main categories: bioinformatics; molecular modelling; and de novo design.

He obtained his Ph.D. in 1990 from Syracuse University working in the area of computational chemistry, biophysics and computer-aided molecular modelling and drug design.

Molecular modelling and computational screening were used to identify functional monomers capable of interacting with several different photosynthesis-inhibiting herbicides.