Search Result "gromacs."


Research Article

Molecular Dynamics Simulations of Glycyrrhizic Acid Aggregates as Drug-Carriers for Paclitaxel

Journal: Current Drug Delivery
Volume: 16 Issue: 7 Year: 2019 Page: 618-627
Author(s): Mumtaz Hussain

Docking and Molecular Dynamics Simulations of Peroxisome Proliferator Activated Receptors Interacting with Pan Agonist Sodelglitazar

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 1021-1027
Author(s): Xu-Yuan Liu, Run-Ling Wang, Wei-Ren Xu, Li-Da Tang, Shu-Qing Wang, Kuo-Chen Chou

Research Article

The Effect of Metformin on Bad, Bak, and Bim Pro-apoptotic Factors: AMolecular Dynamic Simulation Study

Journal: Current Cancer Therapy Reviews
Volume: 19 Issue: 1 Year: 2023 Page: 74-81
Author(s):

Research Article

Structural and Functional Analysis of Mutated Human Pyrin B30.2 Domain

Journal: Current Proteomics
Volume: 17 Issue: 1 Year: 2020 Page: 78-85
Author(s): Sepideh Parvizpour,Ashraf Fadhil Jomah,Jafar Razmara

Research Article

Docking, Molecular Dynamics Simulation and Synthesis of New Fenobam Analogues as mGlu5 Receptor Antagonists

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 764-770
Author(s): Abdollah Javidan,Mohammad Javad Taghizadeh,Seyed Ayoub Hosseini,Maryam Iman,Rahim Jafari

Research Article

Molecular Binding and Simulation Studies of Staphylococcus aureus Superantigens with Flavonoid Compounds

Journal: Infectious Disorders - Drug Targets
Volume: 20 Issue: 4 Year: 2020 Page: 531-542
Author(s): Ramadevi Mohan,Subhashree Venugopal

Research Article

The Potential Roles of Ficus carica Extract in the Management of COVID-19Viral Infections: A Computer-aided Drug Design Study

Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 974-987
Author(s): Mahmoud A. El Hassab,Mohammed A. S. Abourehab,Ashwag S. Alanazi,Wagdy M. Eldehna,Fotouh R. Mansour

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

Letter to the Editor

Finding the Potential Inhibitory Activity of Vilanterol versus Budesonidetowards SARS-CoV-2 Mpro: A Molecular Dynamics Simulation Approach

Journal: Coronaviruses
Volume: 4 Issue: 2 Year: 2023 Page: 1-3
Author(s):

Research Article

Schistosomal Sulfotransferase Interaction with Oxamniquine Involves Hybrid Mechanism of Induced-fit and Conformational Selection

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 4 Year: 2020 Page: 451-459
Author(s): Fortunatus C. Ezebuo,Ikemefuna C. Uzochukwu

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