Sentence examples for molecular modelling at from inspiring English sources

Glazer's is named David Rooklin; he is a scientist doing postdoctoral work in molecular modelling at N.Y.U.

In particular, we will show how molecular modelling at the quantum mechanics level is key for revealing the mechanistic details of catalysis in bacterial and viral metallo-enzymes.

Molecular models at the DAT and the histamine H1 receptor provide further insight into the structural requirements for binding affinity and selectivity that can be implemented in future drug design.

The PS3's high speed and efficiency introduced other opportunities for worthwhile optimizations according to Amdahl's law, and significantly changed the tradeoff between computational efficiency and overall accuracy, allowing for the use of more complex molecular models at little additional computational cost.

Molecular modeling at ≥90%% confidence revealed that wild-type ATF6 is identical in sequence with other transcription factors by 45%% at maximum, but the sequence identity is limited to the BRLZ domain (Fig. S3c d).

Molecular modelling and simulation aims at (at least) theoretically explaining and (at best) predicting the structures, properties and dynamics of molecules and molecular ensembles.

The molecular modelling was performed at the Interdisciplinary Centre for Mathematical and Computational Modeling in Warsaw GB70-3 & GB71-3 GB71-3

During the last five years, we have developed and deployed a molecular modelling workflow environment at the Finnish IT Center for Science CSC.

All calculations were carried out with Spartan'10 v1.1.0 Molecular Modelling program [47] at the DFT M06/LACVP* level in order to maximize the accuracy on the chemically active electrons of the reactions while minimizing computational time.

The synthesis of PNA2 was preceded by a molecular modelling study aimed at evaluating the structural behaviour of the goal seven bases long miR-509-3p/PNA2 heteroduplex in comparison with that of the longer miR-509-3p/PNA1 heteroduplex.

The stability of the molecule was evaluated by molecular modeling aimed at future molecule production for use in diagnosis and vaccination trials.