Sentence examples for chemical computing from inspiring English sources

All docking procedures were achieved by MOE Molecular Operating Environmentt) software 10.2008 provided by chemical computing group, Canada.

Compared with traditional chemical computing, the enzyme-based biological system could overcome the interference between reactions or the incompatibility of individual computing gates and offer a unique opportunity to assemble multicomponent/multifunctional logic circuitries.

Molecular operating environment (MOE) software: chemical computing group's molecular operating environment (MOE) and discovery studio were used for further protein analysis [ 37].

So far, COT was applied successfully in various areas like chemical computing (Matsumaru et al., 2007), social systems (Dittrich and Winter, 2005), evolutionary game theory (Veloz et al., 2014), HIV dynamics (Matsumaru et al., 2006) or checking systems biology models for inconsistencies (Kaleta et al., 2009).

Here, we utilise AutoGPA [2] implemented in the modelling suite MOE Chemical Computing Group Inc.., Montreal) to compute grid potentials build upon a 3D-QSAR model derived from a library of CB2 selective N-Aryl-oxadiazolyl-propionamides.

Molecular structures of these chemicals were washed of extraneous salts, had protonation states rebalanced, had explicit hydrogen atoms augmented, and had their energy states minimized through conversion into a 3D conformation using Molecular Operating Environment MOEE) software (Chemical Computing Group) before being entered as a predictive data set in the ADMET Predictor™.

Based in Montreal, The Chemical Computing Group develops software for computer-aided molecular modeling.

In addition, we report the discovery of a new class of PIM inhibitors by using computational de novo design tool implemented in MOE software (Chemical Computing Group).

In silico work was performed on a Intel® Pentium® D (2.80 GHz) Windows Vista™ Business computer with the Molecular Operating Environment™ (MOE, Version 2007.0902) software developed by the Chemical Computing Group Inc., Montreal, Canada.

We assessed molecular modeling on COX-2 protein by standard computer modeling studies using MOE 2007.09 (Chemical Computing Group Inc., Köln, Germany).

All computations were performed with Molecular Operating Environment version 2009 .10(Chemical Computing Group, Montreal, QC, Canada). Figure 1 was prepared with PyMOL version 1.3 (Schrödinger, New York, NY, USA).