Search Result "Molecular simulation studies"


Molecular Mechanism of the Affinity Interactions between BAFF and Its Peptides by Molecular Simulations

Journal: Protein & Peptide Letters
Volume: 22 Issue: 11 Year: 2015 Page: 992-999
Author(s): Xuegang Fu,Liyan Xuan,Yuzhe Wang,Jing Wei,Jian Sun

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

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

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

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

Differential Interactions of Cytochrome P450 3A5 and 3A4 with Chemotherapeutic Agent-Vincristine: A Comparative Molecular Dynamics Study

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 15 Issue: 4 Year: 2015 Page: 475-483
Author(s): Nikhat Saba,Rajabrata Bhuyan,Suman Kumar Nandy,Alpana Seal

Computer-aided Identification of Novel DprE1 Inhibitors as Potential Anti-TB Lead Compounds: A Hybrid Virtual-screening and Molecular Dynamics Approach

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 4 Year: 2015 Page: 302-313
Author(s): Yushir Maharaj,Soumendranath Bhakat,Mahmoud E. S. Soliman

Chemical and Molecular Aspects on Interactions of Galanthamine and Its Derivatives with Cholinesterases

Journal: Current Pharmaceutical Biotechnology
Volume: 16 Issue: 3 Year: 2015 Page: 252-258
Author(s): Hayrettin O. Gulcan,Ilkay E. Orhan,Bilge Sener

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

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

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