Sentence examples for based on a docking from inspiring English sources

Additionally, based on a docking model of l-glutamate at the catalytic site, a one-step sequential mechanism was proposed for enzymatic catalysis.

The Mii active site contains the putative catalytic residues Lys62 and Cys96, for which mechanistic roles are proposed based on a docking experiment of the Mii substrate complex.

Then, we predicted a set of high-potency natural products by using the iPPI-likeness score based on a docking score-weighted model.

In order to develop compounds with improved potency, we designed novel DIMN derivatives based on a docking study and substituted carbons with heteroatom moieties.

These scaffolds are rigid and are allowed to adopt an L-shape conformation which was estimated as the active conformation based on a docking study of YM-60828 with FXa.

With the aim to discover a gastric antisecretory agent more potent than the existing proton pump inhibitors, novel 3,4-dihydro-1H-spiro naphthalene-2,2′-piperidin -1-one derivatives, which could occupy two important lipophilic pockets (described as LP-1 and LP-2) of H+,K+-ATPase and can strongly bind to the K+-binding site, were designed based on a docking model.

Computational analysis based on a molecular docking approach underlined the potential structural requirements for simultaneously targeting both proteins' allosteric sites.

We assess this effect with a computational approach based on a protein ligand docking method and the HYDE scoring function.

We previously reported that FK228 binds to the ATP-binding pocket of p110α based on a study with a docking model.

Based on a model of docked CAPE in AKR1B10, its derivatives were designed, synthesized and evaluated for inhibitory potency.

This process is based on a 'click-and-dock' mechanism between Taspase1 monomers.