Drug promiscuity of P-glycoprotein and its mechanism of interaction with paclitaxel and doxorubicin

Catalytic Transitions in the Human MDR1 P-Glycoprotein Drug Binding Sites

(2012) John G. Wise   BIOCHEMISTRY

Molecular simulations suggest how a branched antimicrobial peptide perturbs a bacterial membrane and enhances permeability

(2012) Jianguo Li et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

The flexibility of P-glycoprotein for its poly-specific drug binding from molecular dynamics simulations

(2012) Ming Liu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Insights on P-Glycoprotein’s Efflux Mechanism Obtained by Molecular Dynamics Simulations

(2012) Ricardo J. Ferreira et al.   Journal of Chemical Theory and Computation

Molecular Simulation of Fibronectin Adsorption onto Polyurethane Surfaces

(2012) Melisa Panos et al.   LANGMUIR

Crystal structure of the multidrug transporter P-glycoprotein from Caenorhabditis elegans

(2012) Mi Sun Jin et al.   NATURE

Multidrug resistance protein P-glycoprotein does not recognize nanoparticle C60: experiment and modeling

(2012) Xue Xu et al.   Soft Matter

Conformational changes induced by ATP-hydrolysis in an ABC transporter: A molecular dynamics study of the Sav1866 exporter

(2011) A. Sofia Oliveira et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Predicting Binding to P-Glycoprotein by Flexible Receptor Docking

(2011) Elena Dolghih et al.   PLoS Computational Biology

Insights into the Molecular Mechanism of an ABC Transporter: Conformational Changes in the NBD Dimer of MJ0796

(2010) A. Sofia F. Oliveira et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics

(2010) A. J. DePaul et al.   NUCLEIC ACIDS RESEARCH

Structure of P-Glycoprotein Reveals a Molecular Basis for Poly-Specific Drug Binding

(2009) S. G. Aller et al.   SCIENCE

ABC multidrug transporters: structure, function and role in chemoresistance

(2007) Frances J Sharom   PHARMACOGENOMICS