Molecular Modeling Reveals the Novel Inhibition Mechanism and Binding Mode of Three Natural Compounds to Staphylococcal α-Hemolysin

Molecular insight into the inhibition mechanism of cyrtominetin to α-hemolysin by molecular dynamics simulation

(2013) Xiaodi Niu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Oroxylin A Inhibits Hemolysis via Hindering the Self-Assembly of α-Hemolysin Heptameric Transmembrane Pore

(2013) Jing Dong et al.   PLoS Computational Biology

Growth of Ligand–Target Interaction Data in ChEMBL Is Associated with Increasing and Activity Measurement-Dependent Compound Promiscuity

(2012) Ye Hu et al.   Journal of Chemical Information and Modeling

Baicalin Protects Mice From Staphylococcus aureus Pneumonia Via Inhibition of the Cytolytic Activity of α-Hemolysin

(2012) Jiazhang Qiu et al.   JOURNAL OF INFECTIOUS DISEASES

Genetic Requirement for ADAM10 in Severe Staphylococcus aureus Skin Infection

(2012) Naoko Inoshima et al.   JOURNAL OF INVESTIGATIVE DERMATOLOGY

Current concepts on the virulence mechanisms of meticillin-resistant Staphylococcus aureus

(2012) R. R. Watkins et al.   JOURNAL OF MEDICAL MICROBIOLOGY

Molecular Dynamics Simulations Reveal Specific Interactions of Post-translational Palmitoyl Modifications with Rhodopsin in Membranes

(2012) Bjoern E. S. Olausson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of the F610A Mutation on Substrate Extrusion in the AcrB Transporter: Explanation and Rationale by Molecular Dynamics Simulations

(2011) Attilio V. Vargiu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Targeting of Alpha‐Hemolysin by Active or Passive Immunization Decreases Severity of USA300 Skin Infection in a Mouse Model

(2010) Adam D. Kennedy et al.   JOURNAL OF INFECTIOUS DISEASES

Prevention and Treatment of Staphylococcus aureus Pneumonia with a  -Cyclodextrin Derivative

(2009) B. E. Ragle et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Spectroscopic and molecular modeling studies on the binding of the flavonoid luteolin and human serum albumin

(2009) Zuzana Jurasekova et al.   BIOPOLYMERS

Anti-Alpha-Hemolysin Monoclonal Antibodies Mediate Protection against Staphylococcus aureus Pneumonia

(2009) B. E. Ragle et al.   INFECTION AND IMMUNITY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Vaccine protection againstStaphylococcus aureuspneumonia

(2008) Juliane Bubeck Wardenburg et al.   JOURNAL OF EXPERIMENTAL MEDICINE

A covalent S-F heterodimer of leucotoxin reveals molecular plasticity of β-barrel pore-forming toxins

(2008) Pierre Roblin et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS