Sentence examples for design and docking from inspiring English sources
Subsequently, hit optimization for potent and selective candidate Src inhibitors was performed through focused library design and docking analyses.
In order to present a reference for docking experiments of aerocraft on the ground, also to validate design and docking movement, an impact simulation should be adopted.
The protonation state study would provide significant information to assign the correct protonation state for structure-based drug design and docking studies targeting the BACE1 proteins as a tactic to develop potential AD inhibitors.
In this review we discuss the utility of protein-structure-based design and docking approaches aimed at overcoming issues related to plasma protein binding, active transport via P-glycoprotein, hERG channel mediated cardiotoxicity and cytochrome P450 inhibition, metabolism and induction.
Molecular design and docking studies were done using the Argus Lab program.
For quercitrin (Qn) in silico design and docking simulations, the Avogadro v.0.9.4 (http://avogadro.openmolecules.net/) program was used to generate the in silico model and improve its overall structure through a steepest-descent algorithm for energy minimization based on the MMF94 force field.
A focused library was designed and docked by GOLD.
Particularly, a series of new analogues was designed and docked into the LEDGF/p75 binding pocket of HIV-1 IN.
A series of gallic acid formazans, were computationally designed and docked into the active site of InhA to understand their binding mode and potential to inhibit InhA.
In the present study, to overcome this resistance, a new series of hybrid 4-aminoquinoline-triazine derivatives were designed and docked into the active site of Pf-DHFR-TS (PDB i.d. 1J3K) using validated CDOCKER protocol.
A series of (R -2-(4′-chloR -2-nyl)-3-(4′-chlorophenyl -3-,3,5-tetrahydrobenzo[4′-chlorophenyl -3-pyrimidin-4′-chlorophenyl -3-re designed and docked on the FtsZ protein crystal structure (PDB Id: 1RLU, resolution 2.08 Å).
