Search Result "Molecular simulation studies"


Research Article

Molecular Simulation and Activity Studies of Oxametacin as an HDAC Inhibitor

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1277-1282
Author(s): Fanbo Jing,Lei Zhang,Yepeng Luan,Jiang Bian

The Fundamentals of Molecular Simulations

Ebook: A Journey Through Water: A Scientific Exploration of The Most Anomalous Liquid on Earth

Volume: 1 Year: 2017
Author(s): Jestin Baby Mandumpal
Doi: 10.2174/9781681084237117010006
Review Article

Multiscale Molecular Simulations Applied to Nucleic Acid-Dendrimer Interactions Studies

Journal: Current Pharmaceutical Design
Volume: 23 Issue: 21 Year: 2017 Page: 3062-3075
Author(s): Valeria Márquez-Miranda,Ingrid Araya-Durán,Fernando Danilo González-Nilo

Research Article

Molecular Dynamics Simulation and DFT Study to Predict the Refractive Index of Intermediates in the Paal-Knorr Pyrrole Synthesis

Journal: Letters in Organic Chemistry
Volume: 14 Issue: 2 Year: 2017 Page: 120-127
Author(s): Mohsen Sargolzaei,Esmaiel Soleimani,Mahdi Afshar

Research Article

Computational Screening of CCR5 Inhibitors as Potential Entry Inhibitor Microbicides Using 3D-QSAR Studies, Docking and Molecular Dynamics Simulation

Journal: Current HIV Research
Volume: 15 Issue: 4 Year: 2017 Page: 234-244
Author(s): Radhika Ramachandran,Muthusankar Aathi,Durairaj D. Ruban,Shanmughavel Piramanyagam

Research Article

Characterization of Atomic Surface Roughness in Nanometric Machining Molecular Dynamics (MD) Simulations

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 31-39
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen

Review Article

Molecular Dynamics Simulations, Challenges and Opportunities: A Biologist’s Prospective

Journal: Current Protein & Peptide Science
Volume: 18 Issue: 11 Year: 2017 Page: 1163-1179
Author(s): Indu Kumari,Padmani Sandhu,Mushtaq Ahmed,Yusuf Akhter

Research Article

Novel Insights into the Molecular Interaction of a Panduratin A Derivative with the Non Structural Protein (NS3) of Dengue Serotypes: A Molecular Dynamics Study

Journal: Current Pharmaceutical Biotechnology
Volume: 18 Issue: 9 Year: 2017 Page: 769-782
Author(s): Pratap Parida,Raj Narain Singh Yadav,Budheswar Dehury,Debosree Ghosh,Namita Mahapatra,Analava Mitra,Tapan Kumar Mohanta

Research Article

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 30-38
Author(s): Sajjad Ahrari, Fatemeh Dabbagh, Sobhan Ahrari, Younes Ghasemi, Navid Mogharrab, Yasser Riazalhosseini

Research Article

Molecular Dynamics Simulation Study of the HIV-1 Protease Inhibit ion Using Fullerene and New Fullerene Derivatives of Carbon Nanostructures

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 17 Issue: 7 Year: 2017 Page: 633-647
Author(s): Abolfazl Barzegar,Esmail Naghizadeh,Mostafa Zakariazadeh,Jafar Azamat

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