Sentence examples similar to molecular modeling of binding from inspiring English sources

Molecular modeling of the binding of secosteroids to the VDR genomic binding pocket (G-pocket) correlated well with the experimental data for VDR translocation.

For development of novel anti-cancer drugs that effectively inhibit LDHA activity, we performed molecular modeling of the binding interaction between human recombinant LDHA and selected inhibitor ligands.

Using molecular modeling of the binding site, the oxygen atoms of the ribose moiety were predicted to be non-essential, i.e. no specific H-bonds with the receptor protein appear in the model.

Molecular modeling of COREXIT components binding to the PPARγ ligand-binding domain.

A set of functionalized analogues of 6 was designed and prepared (Schemes 1 and 2) from the key ester intermediate 19, based on predictions from molecular modeling of modes of receptor binding.

Extended Data Fig. 8 Molecular model of water binding to an aggregate of biphenyl tetracarboxamide molecules.

However, no molecular models of substrate binding and catalysis are hitherto available for this enzyme.

The Bertaccini, Gross and MacIver Laboratories recently characterized some novel potential anesthetics that were developed from molecular models of anesthetic binding sites on GABA receptors.

A host of recent X-ray crystallography and electron-microscopy structures of the toxin targets has contributed to a dramatic increase in the accuracy of the molecular models of toxin binding modes greatly advancing this exciting field of study.

Both effects agree well with molecular models of nucleotide binding to Hsp70, and it is likely that a combination of both leads to the increased protection of ammonium ions.[ 2, 14] To verify that the two resonances observed in Figure 3 B report on two different sites, we recorded N-edited NOESY experiments.

Molecular modeling of TIQ-10 into the binding pocket provides a pose consistent with STDD-derived interactions.