Search Result "docking simulations"


In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 399-410
Author(s): Mbatha Sbongile, Mahmoud E.S. Soliman

Insight into the Binding Mode between N-Methyl Pyrimidones and Prototype Foamy Virus Integrase-DNA Complex by QM-Polarized Ligand Docking and Molecular Dynamics Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2015 Page: 43-49
Author(s): Karnati Konda Reddy,Sanjeev Kumar Singh

3D Structure Generation, Molecular Dynamics and Docking Studies of IRHOM2 Protein Involved in Cancer & Rheumatoid Arthritis

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 4 Year: 2015 Page: 325-335
Author(s): Utkarsh Raj,Himansu Kumar,Pritish Kumar Varadwaj

Structural Characterization of Alpha-methylacyl-CoA Racemase: Comparative Structural Modeling, Molecular Docking and Dynamic Simulations Studies

Journal: Current Cancer Drug Targets
Volume: 15 Issue: 9 Year: 2015 Page: 822-835
Author(s): Sumra Wajid Abbasi,Syed Sikander Azam

Substrate – Inositol Transporter Interactions: Molecular Docking Study

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 8 Year: 2015 Page: 622-627
Author(s): Mariyana Atanasova,Irini Doytchinova

Molecular Docking Reveals Binding Features of Estrogen Receptor Beta Selective Ligands

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 137-151
Author(s): Pawel Ksiazek,Krzysztof Bryl

Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Journal: Current Pharmaceutical Biotechnology
Volume: 16 Issue: 1 Year: 2015 Page: 11-25
Author(s): Tao Wang,Mian-Bin Wu,Zheng-Jie Chen,Hua Chen,Jian-Ping Lin,Li-Rong Yang

An Overview of Fuel Cells and Simulation Models: Review on Solid Oxide Fuel Cells

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 223-252
Author(s): Jose G. S. Canchaya, Nelson C. Furtado, Carlton A. Taft

Pharmacophore Modeling, Docking and Molecular Dynamics Studies on Caspase-3 Activators Binding at β-Tubulin Site

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 1 Year: 2015 Page: 72-83
Author(s): Shome S. Bhunia,Supriya Singh,Shruti Saxena,Anil K. Saxena

Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 237-244
Author(s): Vytautas Raškevičius,Visvaldas Kairys

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