Lipid a from lipopolysaccharide recognition: Structure, dynamics and cooperativity by molecular dynamics simulations

Elucidation of the MD-2/TLR4 Interface Required for Signaling by Lipid IVa

(2014) C. Walsh et al.   JOURNAL OF IMMUNOLOGY

A Synthetic Lipid A Mimetic Modulates Human TLR4 Activity

(2011) Matteo Piazza et al.   ChemMedChem

MD-2 as the Target of Nonlipid Chalcone in the Inhibition of Endotoxin LPS-Induced TLR4 Activity

(2011) Eunmiri Roh et al.   JOURNAL OF INFECTIOUS DISEASES

From agonist to antagonist: Structure and dynamics of innate immune glycoprotein MD-2 upon recognition of variably acylated bacterial endotoxins

(2011) Mari L. DeMarco et al.   MOLECULAR IMMUNOLOGY

Myeloid differentiation 2 as a therapeutic target of inflammatory disorders

(2011) Sun Hong Park et al.   PHARMACOLOGY & THERAPEUTICS

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Xanthohumol and Related Prenylated Flavonoids Inhibit Inflammatory Cytokine Production in LPS-Activated THP-1 Monocytes: Structure-Activity Relationships andIn SilicoBinding to Myeloid Differentiation Protein-2 (MD-2)

(2010) Michael Peluso et al.   PLANTA MEDICA

Free Thiol Group of MD-2 as the Target for Inhibition of the Lipopolysaccharide-induced Cell Activation

(2009) Mateja Manček-Keber et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

MD-2-mediated Ionic Interactions between Lipid A and TLR4 Are Essential for Receptor Activation

(2009) Jianmin Meng et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

(2009) Olgun Guvench et al.   Journal of Chemical Theory and Computation

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The structural basis of lipopolysaccharide recognition by the TLR4–MD-2 complex

(2009) Beom Seok Park et al.   NATURE

MD-2–Dependent Pulmonary Immune Responses to Inhaled Lipooligosaccharides

(2008) Suzana Hađina et al.   AMERICAN JOURNAL OF RESPIRATORY CELL AND MOLECULAR BIOLOGY

Putting endotoxin to work for us: Monophosphoryl lipid A as a safe and effective vaccine adjuvant

(2008) C. R. Casella et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

Taxanes inhibit human TLR4 signaling by binding to MD-2

(2008) Nuša Resman et al.   FEBS LETTERS

Additive empirical force field for hexopyranose monosaccharides

(2008) Olgun Guvench et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Assessment of the convergence of molecular dynamics simulations of lipopolysaccharide membranes

(2008) T.A. Soares et al.   MOLECULAR SIMULATION