Sentence examples for molecular modelling programming from inspiring English sources

Many aspects of the sketched protocol are challenging and require substantial expertise in the areas of molecular modelling, programming and statistical mechanics.

"Shane Hope, whose work involves working with molecular modelling programs and writing his own scripts to enhance them, is an example".

Besides those, a variety of 2D/3D visualization and molecular modelling programs, as well as ab initio, semi-empirical and molecular dynamics codes are packaged by the Debichem in Debian.

and GAMESS [4, 5] molecular modeling programs.

Molecular mechanics simulations were performed with two different force fields in two different molecular modeling programs.

We review the use made to date of cloud computing for molecular modelling projects and the availability of front ends for molecular modelling applications.

All the structural modelling was carried out in UCSF Chimera extensible molecular modelling environment [24].

Molecular modelling results were compared with the insights previously obtained with a homology model of the methyltransferase domain of DNMT1 [4].

Molecular modelling software could bring huge advantages for science students.

Molecular modelling analysis results also supported these observations.

Molecular modelling studies were conducted to further interpret the NMR data.