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The planar conformations would give an enhanced NLO activity where as any deviations from planarity would decrease the mobility of electrons within the π-conjugated molecular system, resulting a reduction in NLO activity.
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We have therefore refrained from providing a detailed description of specifics of each molecular system and the results.
Specifically, use of molecular engineering of biological systems resulted in emergence of Nanobiotechnology [3].
The resulting energy oscillations in the molecular system are reduced by velocity reversing of the outermost atoms.
The statistical analysis representation is interactively combined with full mapping of the results on the molecular system through the synergistic connection between PyContact and VMD.
The result is a global, interconnected network of pathways that represents the functional cross-talk within the molecular system.
The molecular system includes ∼370,000 atoms.
For identification of HR-HPV positive samples, Linear Array (Roche Molecular Systems, Inc., Pleasanton, CA, USA) results for P1 and BD HPV test (BD Diagnostics, Burlington, NC, USA) results for P2 were used.
While modern supercomputers can perform approximate simulations of simple molecular systems, increasing the size of the system results in an exponential increase in computation time.
Numerical results for molecular systems involving pairwise non-bonded, three and four-body bonded interactions are obtained to demonstrate the effectiveness of our approach.
HPV DNA testing was conducted on samples from randomly selected women using the Roche Linear Array HPV genotyping test (Roche Molecular Systems Inc. California USA), and the results were validated utilizing the beta-globin according to the manufacturer's instructions.
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