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

P-Glycoprotein-ATPase Modulation: The Molecular Mechanisms

(2012) Xiaochun Li-Blatter et al.   BIOPHYSICAL JOURNAL

Virtual Screening and Drug Design for PDE-5 Receptor from Traditional Chinese Medicine Database

(2012) Calvin Yu-Chian Chen   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A Novel Strategy for Designing the Selective PPAR Agonist by the “Sum of Activity” Model

(2012) Hung-Jin Huang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Screening from the World's Largest TCM Database Against H1N1 Virus

(2012) Tung-Ti Chang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Search for Novel Remedies to Augment Radiation Resistance of Inhabitants of Fukushima and Chernobyl Disasters: Identifying DNA Repair Protein XRCC4 Inhibitors

(2012) Mao-Feng Sun et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Lose Weight with Traditional Chinese Medicine? Potential Suppression of Fat Mass and Obesity-Associated Protein

(2012) Pei-Chun Chang et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Potent Inhibitor Design Against H1N1 Swine Influenza: Structure-based and Molecular Dynamics Analysis for M2 Inhibitors from Traditional Chinese Medicine Database

(2012) Chia-Hui Lin et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations

(2012) Zhiwei Feng et al.   Journal of Chemical Information and Modeling

Computational Simulation of Drug Delivery at Molecular Level

(2011) Youyong Li et al.   CURRENT MEDICINAL CHEMISTRY

Computational models for predicting substrates or inhibitors of P-glycoprotein

(2011) Lei Chen et al.   DRUG DISCOVERY TODAY

Homology modeling and binding site assessment of the human P-glycoprotein

(2011) Ákos Tarcsay et al.   Future Medicinal Chemistry

Traditional Chinese medicine, a solution for reducing dual stroke risk factors at once?

(2011) Kuan-Chung Chen et al.   Molecular BioSystems

In silico pharmacology suggests ginger extracts may reduce stroke risks

(2011) Tung-Ti Chang et al.   Molecular BioSystems

High performance screening, structural and molecular dynamics analysis to identify H1 inhibitors from TCM Database@Taiwan

(2011) Su-Sen Chang et al.   Molecular BioSystems

ADME Evaluation in Drug Discovery. 10. Predictions of P-Glycoprotein Inhibitors Using Recursive Partitioning and Naive Bayesian Classification Techniques

(2011) Lei Chen et al.   MOLECULAR PHARMACEUTICS

TCM Database@Taiwan: The World's Largest Traditional Chinese Medicine Database for Drug Screening In Silico

(2011) Calvin Yu-Chian Chen   PLoS One

Stroke prevention by traditional Chinese medicine? A genetic algorithm, support vector machine and molecular dynamics approach

(2011) Kuan-Chung Chen et al.   Soft Matter

Two Birds with One Stone? Possible Dual-Targeting H1N1 Inhibitors from Traditional Chinese Medicine

(2011) Su-Sen Chang et al.   PLoS Computational Biology

Identification of Potent EGFR Inhibitors from TCM Database@Taiwan

(2011) Shun-Chieh Yang et al.   PLoS Computational Biology

Computational Modeling of Structure-Function of G Protein-Coupled Receptors with Applications for Drug Design

(2010) Y. Li et al.   CURRENT MEDICINAL CHEMISTRY

Insights into designing the dual-targeted HER2/HSP90 inhibitors

(2010) Chien-Yu Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Predicted 3D structures for adenosine receptors bound to ligands: Comparison to the crystal structure

(2010) William A. Goddard et al.   JOURNAL OF STRUCTURAL BIOLOGY

Impact of the Recent Mouse P-Glycoprotein Structure for Structure-Based Ligand Design

(2010) Freya Klepsch et al.   Molecular Informatics

Multidrug efflux pumps: The structures of prokaryotic ATP-binding cassette transporter efflux pumps and implications for our understanding of eukaryotic P-glycoproteins and homologues

(2009) Ian D. Kerr et al.   FEBS Journal

Conformational Cycle of the ABC Transporter MsbA in Liposomes: Detailed Analysis Using Double Electron–Electron Resonance Spectroscopy

(2009) Ping Zou et al.   JOURNAL OF MOLECULAR BIOLOGY

Computational screening and design of traditional Chinese medicine (TCM) to block phosphodiesterase-5

(2009) Calvin Yu-Chian Chen   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The dopamine D3 receptor (DRD3) gene and risk of schizophrenia: Case–control studies and an updated meta-analysis

(2009) Ayako Nunokawa et al.   SCHIZOPHRENIA RESEARCH

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

(2009) S. G. Aller et al.   SCIENCE

ABC transporters: a riddle wrapped in a mystery inside an enigma

(2009) Peter M. Jones et al.   TRENDS IN BIOCHEMICAL SCIENCES

Understanding polyspecificity of multidrug ABC transporters: closing in on the gaps in ABCB1

(2009) Daniel A.P. Gutmann et al.   TRENDS IN BIOCHEMICAL SCIENCES

Functional Role of Transmembrane Helix 6 in Drug Binding and Transport by the ABC Transporter MsbA†

(2008) Barbara Woebking et al.   BIOCHEMISTRY

Identification of Putative Binding Sites of P-glycoprotein Based on its Homology Model

(2008) Christoph Globisch et al.   ChemMedChem

ABC multidrug transporters: structure, function and role in chemoresistance

(2007) Frances J Sharom   PHARMACOGENOMICS