Sentence examples for molecular docking systems from inspiring English sources

Molecular docking systems model and simulate in silico the interactions of intermolecular binding.

Next, we performed the in vitro assay based on molecular docking system.

As we noted in our proof-of-concept study [44], there appears to be an inconsistent application of the molecular docking methodology when studying HLA systems.

The identified conserved motif was also validated for its activity as conserved core region of operator sequence of corresponding TA system by molecular docking studies.

These compounds were screened for potential biological activity in an A549 lung cancer cell line and were also evaluated for their antibacterial activities against Pseudomonas aeruginosa ATCC 27853, Escherichia coli ATCC 25922 and Staphylococcus aureus ATCC 29213 whilst their molecular docking properties in an enzymatic system were also determined.

The structure-based drug design system contains molecular docking and molecular dynamics simulation [ 4– 9].

These peculiar results for flucloxacillin and simvastatin (XP + P1) may indicate a severe limitation of using molecular docking for such complicated three part systems (protein, ligand, and co-binding peptide).

The GOLD 5.2.2 (Genetic Optimization of Ligand Docking) [15], incorporated installed on Intel(R) Xeon(R) CPU 2.30 GHz, 32 CPU, Core 8 Dell server with Linux operating systems, was used for molecular docking studies.

We have developed a Flexible-Receptor Docking Workflow System (FReDoWS) to automate molecular docking simulations using a fully-flexible receptor model.

Inverse docking strategies could become a more viable resource as further target crystal structures become available and molecular docking methods are improved, and in conjunction with systems biology methods such as proteomics and genomics (Loging et al. 2007).

When molecular docking is performed, the protein is treated as a rigid system while the ligand is a flexible system.