Sentence examples for large sets of molecules from inspiring English sources

Because of their rapid calculation, they can be easily computed for large sets of molecules (e.g., drug-like compounds).

QM approaches provide accurate charges, but they are very slow and therefore not feasible for large sets of molecules.

64-bit computing and multi-core usage by paralleled threads are now supported to allow for fast in-memory processing and analysis of large sets of molecules.

IOM found many potential problems inherent in tests based on omics, which it defines as research that looks for patterns in large sets of molecules such as proteins, DNA, RNA, or metabolites.

Many of the concepts are better understood by considering that the laws of thermodynamics are based on the stochastic behavior of large sets of molecules.

The following test simulates a sequential subgraph isomorphism test over a large set of molecules.

Depending on this approach to determine the activities of a large set of molecules would consume a lot of time and money.

Indeed the pharmacophore notion provides a powerful way to identify and compare structural features across a large set of molecules and the possibility to screen virtually millions of compounds.

TNF in human vascular ECs activates signaling pathways that regulate coordinately the transcription of a large set of molecules involved in inflammation, coagulation, thrombosis, vascular tone, immune response [11].

However, HMGB1 extracellular activities can be modulated positively or negatively, by oxidation in necrotic and apoptotic cells [3] [5] [4] and/or by interactions with a large set of molecules of cellular or viral origin [8].

Notably, a similar level of accuracy was recently reported for a large set of molecules in terms of their relative binding free energies.