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Journal of Biomolecular Structure and Dynamics, ISSN 0739-1102, 05/2019, Volume 37, Issue 8, pp. 1968 - 1991
Toll-like receptor 4 (TLR4) is a member of Toll-Like Receptors (TLRs) family that serves as a receptor for bacterial lipopolysaccharide (LPS). TLR4 alone... 
ADR: Adverse drug reaction | fs: femto seconds | ps: pico seconds | TLR4: Toll-like receptor 4 | protein-protein interactions (PPIs) | DTs: Drug transporters | TIR: Toll/IL-1 receptor like | RMSF: Root mean square fluctuation | API: Active pharmaceutical ingredient | NF-κB: Nuclear factor Kappa B | ECD: Extra cellular domain | CHARMM: Chemistry at HARvard macromolecular mechanics | RMSD: Root mean square deviation | PAMPs: Pathogen associated molecular patterns | Ro4: Rule of four | Toll-Like Receptor 4 (TLR4) | ns: nano seconds | PPIs: Protein-protein interactions | VMD: Visual molecular dynamics | MD: Molecular dynamics | ADMET: Absorption, distribution, metabolism, excretion and toxicity | NAMD: NAnoscale molecular dynamics | lipopolysaccharide (LPS) | hTLR4−MD-2 complex inhibitors | TLRs: Toll-like receptors | LRRs: Leucine rich repeats | LMWIs: Low molecular weight inhibitors | VS: Virtual screening | PRRs: Pattern recognition receptors | SMPPIIs: Small molecule protein-protein interaction inhibitors | TMD: Transmembrane domain | small molecule protein-protein interaction inhibitors (SMPPIIs) | LPS: LipoPolySaccharide | DMEs: Drug-metabolizing enzymes | DAMPs: Danger/damage associated molecular patterns | MDS: Molecular dynamics simulation | MD-2: Myeloid differentiation factor-2 | LE: Ligand efficiency | protein–protein interactions (PPIs) | small molecule protein–protein interaction inhibitors (SMPPIIs) | hTLR4-MD-2 complex inhibitors | TLR4 ANTAGONIST | BIOCHEMISTRY & MOLECULAR BIOLOGY | IL-1 receptor like | PREDICTION | HOT-SPOTS | metabolism | GENERAL FORCE-FIELD | DAMPs: Danger | FREE TOOL | DESIGN | damage associated molecular patterns | NF-B: Nuclear factor Kappa B | distribution | DRUG-METABOLIZING-ENZYMES | DISCOVERY | SMALL-MOLECULE INHIBITORS | excretion and toxicity | TIR: Toll | BIOPHYSICS | ADMET: Absorption | WEB SERVER
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Chemical Biology & Drug Design, ISSN 1747-0277, 07/2011, Volume 78, Issue 1, pp. 57 - 72
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European Journal of Pharmaceutical Sciences, ISSN 0928-0987, 02/2013, Volume 48, Issue 3, pp. 523 - 531
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