2023
DOI: 10.1016/j.envres.2023.116698
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Synthesis of biogenic cadmium sulfide nanoparticles (MR03-CdSNPs) using marine Streptomyces kunmingensis - MR03 for in-vitro biological determinations and in silico analysis on biofilm virulence proteins: A novel approach

Lokesh Elumalai,
Sankarganesh Palaniyandi,
Ganesh Kumar Anbazhagan
et al.
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Cited by 3 publications
(1 citation statement)
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“…We used Schrodinger 2023-3 software to prepare and optimize the structure of the protein, using the OPLS_2005 force field to remove heteroatoms (Schrodinger, LLC, New York, NY, USA). The binding site of the protein structure was identified using SitMap (Sitemap, Version 4.3), available in Maestro, and some other physical characteristics such as hydrogen bonding, hydrophobicity, size, and linking point [15]. A grid created at 12 Å × 12 Å × 12 Å was virtually screened and run in VSW (virtual screening workflow module).…”
Section: Prediction Of Ligand and Protein Interactionmentioning
confidence: 99%
“…We used Schrodinger 2023-3 software to prepare and optimize the structure of the protein, using the OPLS_2005 force field to remove heteroatoms (Schrodinger, LLC, New York, NY, USA). The binding site of the protein structure was identified using SitMap (Sitemap, Version 4.3), available in Maestro, and some other physical characteristics such as hydrogen bonding, hydrophobicity, size, and linking point [15]. A grid created at 12 Å × 12 Å × 12 Å was virtually screened and run in VSW (virtual screening workflow module).…”
Section: Prediction Of Ligand and Protein Interactionmentioning
confidence: 99%