Sentence examples for based on binding energy from inspiring English sources

The docking results shown the rosmaricine derivatives bind influenza hemagglutinin with high affinity based on binding energy.

The scoring function further ranks these modes based on binding energy evaluations.

The monomer library was screened for the target drug metoprolol based on binding energy between each monomer and the target for the selection of best monomers to develop a successful production recipe.

The screening process based on binding energy between endotoxin and each monomer was performed with 21 commonly used monomers, resulting in the selection of itaconic acid, methacrylic acid and acrylamide as functional monomers due to their strong binding interaction with the endotoxin template.

The initial P6 sequence was subjected to an evolution of over several hundred thousands of rounds of 15-amino acid peptide sequences that, based on binding energies, should recognize and bind modified hASLLys3UUU with a similar or higher affinity than that of P6.

Based on the binding energy differences, a modified attachment energy can be computed to get a visible result for the habit influenced by the solvent.

The time spent at any position on the DNA is determined based on the binding energy between the molecule DNA binding domain and the sequence under the molecule.

Fifteen compounds were selected for synthesis based on their binding energy values and docking poses.

Based on the binding energy and hydrogen uptake considerations, it is inferred that Na+ doped corannulene is the best candidate among all metal ions considered here.

In this work, a virtual screening method based on the binding energy in the transition state was established to assist in the screening of MR mutants with enhanced catalytic efficiency.

It was concluded that this virtual screening method based on the binding energy in the transition state was beneficial in enzyme rational redesign and helped to better understand the catalytic properties of the enzyme.