Key residues in TLR4-MD2 tetramer formation identified by free energy simulations

Recent progress in the discovery of myeloid differentiation 2 (MD2) modulators for inflammatory diseases

(2018) Lingfeng Chen et al.   DRUG DISCOVERY TODAY

A Thermodynamic Funnel Drives Bacterial Lipopolysaccharide Transfer in the TLR4 Pathway

(2018) Roland G. Huber et al.   STRUCTURE

Reconstruction of LPS Transfer Cascade Reveals Structural Determinants within LBP, CD14, and TLR4-MD2 for Efficient LPS Recognition and Transfer

(2017) Je-Kyung Ryu et al.   IMMUNITY

Structure-Activity Relationship in TLR4 Mutations: Atomistic Molecular Dynamics Simulations and Residue Interaction Network Analysis

(2017) Muhammad Ayaz Anwar et al.   Scientific Reports

Discovery and Structure–Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists

(2016) Matthew D. Morin et al.   JOURNAL OF MEDICINAL CHEMISTRY

Computational Approaches to Toll-Like Receptor 4 Modulation

(2016) Jean-Marc Billod et al.   MOLECULES

TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS

(2016) Ying Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Toll-like receptors: Activation, signalling and transcriptional modulation

(2015) Dominic De Nardo   CYTOKINE

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

(2015) James A. Maier et al.   Journal of Chemical Theory and Computation

Dynamics on human Toll-like receptor 4 complexation to MD-2: The coreceptor stabilizing function

(2015) Carla de Aguiar et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

TLRs: Linking inflammation and breast cancer

(2014) Khyati Bhatelia et al.   CELLULAR SIGNALLING

Effect of Eritoran, an Antagonist of MD2-TLR4, on Mortality in Patients With Severe Sepsis

(2013) Steven M. Opal et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

The Structural Basis for Endotoxin-induced Allosteric Regulation of the Toll-like Receptor 4 (TLR4) Innate Immune Receptor

(2013) Teresa Paramo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

(2013) Daniel R. Roe et al.   Journal of Chemical Theory and Computation

Toll-like Receptor 4 (TLR4) Modulation by Synthetic and Natural Compounds: An Update

(2013) Francesco Peri et al.   JOURNAL OF MEDICINAL CHEMISTRY

Targeting Toll-Like Receptors: Promising Therapeutic Strategies for the Management of Sepsis-Associated Pathology and Infectious Diseases

(2013) Athina Savva et al.   Frontiers in Immunology

SPFP: Speed without compromise—A mixed precision model for GPU accelerated molecular dynamics simulations

(2012) Scott Le Grand et al.   COMPUTER PHYSICS COMMUNICATIONS

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Genetic variation in Toll-like receptors and disease susceptibility

(2012) Mihai G Netea et al.   NATURE IMMUNOLOGY

Eritoran tetrasodium (E5564) treatment for sepsis: review of preclinical and clinical studies

(2011) Amisha Barochia et al.   Expert Opinion on Drug Metabolism & Toxicology

A randomized, double-blind, placebo-controlled trial of TAK-242 for the treatment of severe sepsis*

(2010) Todd W. Rice et al.   CRITICAL CARE MEDICINE

Polymorphisms in toll-like receptor 4 and toll-like receptor 9 influence viral load in a seroincident cohort of HIV-1-infected individuals

(2009) Samuel O Pine et al.   AIDS

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

(2009) Beom Seok Park et al.   NATURE

Therapeutic Targeting of Toll-Like Receptors for Infectious and Inflammatory Diseases and Cancer

(2009) L. A. J. O'Neill et al.   PHARMACOLOGICAL REVIEWS

Protection from lethal Gram-negative bacterial sepsis by targeting Toll-like receptor 4

(2009) T. Roger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Association between the Polymorphisms of TLR4 and CD14 Genes and Alzheimers Disease

(2008) C. Balistreri et al.   CURRENT PHARMACEUTICAL DESIGN