Sentence examples for molecular modeling between from inspiring English sources

Molecular modeling between peptide analogs and H2 I-As demonstrated novel interactions.

Although the structure of DdP2XA possessed similar dimensions to those of the previously determined low-resolution hP2X4 structure and the zfP2X4.1 crystal structure, N-glycosylation mutagenesis and molecular modeling indicated differences between N-glycan usage and predicted accessibility in models of DdP2XA based on the zfP2X4.1 crystal structure.

Through computational molecular modeling, the optimum ratio between the functional monomer and molecular template was selected.

In this chapter, we review the progress on the developments of in silico approaches that are at the interface between molecular modeling and chemoinformatics.

Spectral analysis (IR, 1H NMR, 13C NMR, 27Al NMR, 119Sn NMR and MS) and molecular modeling revealed coordination modes between metals and donor atoms entirely within supramolecular architectures.

To determine whether COI1 binds directly to jasmonates, three biotin-tagged photoaffinity probes for JAs, a jasmonic acid photoaffinity probe (PAJA), a JAIle photoaffinity probe (PAJAIle), and a coronatine photoaffinity probe (PACOR), were designed and synthesized based on analysis of JA structure activity relationships and molecular modeling of the interaction between COI1 and JAs.

The molecular modeling of the interaction between ligands and receptors demonstrated that TP5 and its alanine substitutions adopted distinct conformations when they bound to HLA-DR.

The molecular modeling of the interaction between LVX and the DNA-DNA gyrase complex indicates that the loss of an acetyl group in the Asp94Gly mutation removes the acid base interaction with LVX necessary for the quinolone activity.

Using molecular modeling simulations, the potential distance between the Qdot/DABCYL and 6-Fam/DABCYL was determined.

Molecular modeling on the complex formed between Gatifloxacin and DNA presented the full ability of the drug for participating in the formation of a stable intercalation site.

Molecular modeling indicated that the interaction between the pyrazolone ring and ferrous ion, and the hydrophobic interaction of quinazolone with its surrounding residues, such as Phe347 and Phe364, contributed greatly to the high potency of these inhibitors.