Correlation between simulated physicochemical properties and hemolycity of protegrin-like antimicrobial peptides: predicting experimental toxicity.

No abstract is available for this paper.

• Publication year

  2008

• Venue

  Peptides

• Publication date

  2008-07-01

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1016/j.peptides.2008.03.018PMID 18455267PMCID PMC2424260
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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  2006influential reference
• The human beta-defensin-3, an antibacterial peptide with multiple biological functions.

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  2002influential reference
• Translocation of protegrin I through phospholipid membranes: role of peptide folding.

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• Characterization of Novel Antimicrobial Peptoids

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• Encyclopedia of computational chemistry

  1998cited by this paper
• Activity of Protegrins against Yeast-PhaseCandida albicans

  1998influential reference
• Magainins as paradigm for the mode of action of pore forming polypeptides.

  1998cited by this paper
• Mode of action of linear amphipathic alpha-helical antimicrobial peptides.

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• Animal antimicrobial peptides: an overview.

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• Encyclopedia of computational chemistry

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• Mode of action of linear amphipathic α-helical antimicrobial peptides

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• Protegrin structure and activity against Neisseria gonorrhoeae

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• Reviving the antibiotic miracle?

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  1991cited by this paper
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• Canonical dynamics: Equilibrium phase-space distributions.

  1985influential reference
• CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

  1983cited by this paper
• Molecular dynamics simulations at constant pressure and/or temperature

  1980cited by this paper
• Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes

  1977cited by this paper

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