Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT1 and ETA receptor antagonists

Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors

(2011) Francesca Fanelli et al.   CHEMICAL REVIEWS

Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors

(2011) Sugunadevi Sakkiah et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Molecular Dynamics Simulation, Free Energy Calculation and Structure-Based 3D-QSAR Studies of B-RAF Kinase Inhibitors

(2011) Ying Yang et al.   Journal of Chemical Information and Modeling

G Protein- and Agonist-Bound Serotonin 5-HT2AReceptor Model Activated by Steered Molecular Dynamics Simulations

(2011) Vignir Ísberg et al.   Journal of Chemical Information and Modeling

Pharmacophore filtering and 3D-QSAR in the discovery of new JAK2 inhibitors

(2011) Kh. Dhanachandra Singh et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Homology modeling, molecular dynamics, e-pharmacophore mapping and docking study of Chikungunya virus nsP2 protease

(2011) Kh. Dhanachandra Singh et al.   JOURNAL OF MOLECULAR MODELING

Interplay Between miR-155, AT1R A1166C Polymorphism, and AT1R Expression in Young Untreated Hypertensives

(2010) G. Ceolotto et al.   AMERICAN JOURNAL OF HYPERTENSION

Identification of novel bacterial histidine biosynthesis inhibitors using docking, ensemble rescoring, and whole-cell assays

(2010) S.T. Henriksen et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Identification of novel serotonin 2C receptor ligands by sequential virtual screening

(2009) Asif Ahmed et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Role of Angiotensin II Type 1 Receptor Antagonists in the Treatment of Hypertension in Patients Aged ≥65 Years

(2009) Alan H. Gradman   DRUGS & AGING

Ambrisentan, an endothelin receptor type A-selective endothelin receptor antagonist, for the treatment of pulmonary arterial hypertension

(2009) Martha Kingman et al.   EXPERT OPINION ON PHARMACOTHERAPY

MM-GB/SA Rescoring of Docking Poses in Structure-Based Lead Optimization

(2008) Cristiano R. W. Guimarães et al.   Journal of Chemical Information and Modeling

Investigation of MM-PBSA Rescoring of Docking Poses

(2008) David C. Thompson et al.   Journal of Chemical Information and Modeling

Molecular modelling evaluation of the cytotoxic activity of podophyllotoxin analogues

(2008) Md. Afroz Alam et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

New drug targets for pulmonary hypertension: Rho GTPases in pulmonary vascular remodelling

(2008) B Wojciak-Stothard   POSTGRADUATE MEDICAL JOURNAL

Using multiple templates to improve quality of homology models in automated homology modeling

(2008) Per Larsson et al.   PROTEIN SCIENCE