Insight into the Enzyme-Inhibitor Interactions of the First Experimentally Determined Human Aromatase

Homology Modeling of GLUT4, an Insulin Regulated Facilitated Glucose Transporter and Docking Studies with ATP and its Inhibitors

(2012) S. Suma Mohan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Computational Study of the Sulfonylated Amino Acid Hydroxamates Binding to the Zinc Ion within the Active Site of Carbonic Anhydrase

(2012) Július šille et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Immunophilins and HIV-1 V3 Loop For Structure-Based Anti-AIDS Drug Design

(2012) Alexander M. Andrianov   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Weighted Equation and Rules—A Novel Concept for Evaluating Protein-Ligand Interaction

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

Computational Studies of Human Galectin-1: Role of Conserved Tryptophan Residue in Stacking Interaction with Carbohydrate Ligands

(2012) Christophe Meynier et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A Docking Study Using Atomistic Conformers Generated via Elastic Network Model for Cyclosporin A/Cyclophilin A Complex

(2012) E. Demet Akten et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Computational Model of the HIV-1 Subtype A V3 Loop: Study on the Conformational Mobility for Structure-Based Anti-AIDS Drug Design

(2012) Alexander M. Andrianov et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

(2012) Teodorico C. Ramalho et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Ligand-Based Dual Target Drug Design for H1N1: Swine Flu- A Preliminary First Study

(2012) Chien-Yu Chen et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structure and Dynamics of Double Helical DNA in Torsion Angle Hyperspace: A Molecular Mechanics Approach

(2012) Aditi Borkar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

Docking Simulation and Competitive Experiments Validate the Interaction Between the 2,5-Xylidine Inhibitor andRigidoporus lignosusLaccase

(2012) Maria Teresa Cambria et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Modeling of Mycobacterium Tuberculosis DNA Gyrase and its Molecular Docking Study with Gatifloxacin Inhibitors

(2012) Elaine F. F. da Cunha et al.   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

Structure-Based and Ligand-Based Drug Design for HER 2 Receptor

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

Docking and 3D-QSAR studies of diverse classes of human aromatase (CYP19) inhibitors

(2010) Partha Pratim Roy et al.   JOURNAL OF MOLECULAR MODELING

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structural basis for androgen specificity and oestrogen synthesis in human aromatase

(2009) Debashis Ghosh et al.   NATURE

Screening of herbal constituents for aromatase inhibitory activity

(2008) S. Paoletta et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Non-Steroidal Aromatase Inhibitors Based on a Biphenyl Scaffold: Synthesis, in vitro SAR, and Molecular Modelling

(2008) Toby Jackson et al.   ChemMedChem

The binding of lignans, flavonoids and coumestrol to CYP450 aromatase: A molecular modelling study

(2008) Sampo Karkola et al.   MOLECULAR AND CELLULAR ENDOCRINOLOGY

Efficient docking of peptides to proteins without prior knowledge of the binding site

(2002) Csaba Hetényi et al.   PROTEIN SCIENCE