Sentence examples for molecular modeling experiments from inspiring English sources

However, at present molecular modeling experiments done on modeled enzyme structures should be interpreted with caution.

Molecular modeling experiments inside the binding sites of both enzymes were performed.

We illustrate the possible recognition mechanism of probe 1 and sulfite by NMR analysis and molecular modeling experiments.

Molecular modeling experiments indicated that these compounds may inhibit Tat TAR interaction by binding to Tat protein instead of TAR RNA.

The differences for the interactions of these two classes of compounds with G-quadruplex were further studied and elaborated through molecular modeling experiments.

Although ATA is structurally distinct from sialic acid, molecular modeling experiments suggested that ATA binds to NA at the enzyme's substrate binding site.

DDB performed the molecular modelling experiments.

An essential component of this Top1/DNA active site model is the rotated +1 deoxyguanosine, and in vitro experiments and molecular modeling studies supported rotation of the +1 deoxyguanosine out of the helix.

Structure-activity relationship was discussed on the basis of molecular modeling study using Molecular modeling Environment program (MOE).

STB participated in design of modeling experiments, developed the model, performed the modeling experiments, assisted in interpretation of the modeling results, and helped to draft the manuscript.

The modeling experiments are such that can be done with the model, which is fully continuous.