Search Result "docking and dynamic simulations."


Research Article

Molecular Dynamics Simulation and Docking Studies of Selenocyanate Derivatives as Anti-Leishmanial Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 847-854
Author(s): Maryam Iman,Hamid Bakhtiari Kaboutaraki,Rahim Jafari,Seyed Ayoub Hosseini,Abolghasem Moghimi,Ali Khamesipour,Asghar Beigi Harchegani,Asghar Davood

Review Article

Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1755-1768
Author(s): Ahmad Abu Turab Naqvi,Taj Mohammad,Gulam Mustafa Hasan,Md. Imtaiyaz Hassan

Research Article

The Interaction of Isoflavone Phytoestrogens with ERα and ERβ by Molecular Docking and Molecular Dynamics Simulations

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 0 Year: 2020 Page: 1-12
Author(s): Ting Wang,Yaquan Liu,Xuming Zhuang,Feng Luan,Chunyan Zhao

Research Article

Molecular Docking and Dynamics Simulation Studies of a Dataset of NLRP3 Inflammasome Inhibitors

Journal: Recent Advances in Inflammation & Allergy Drug Discovery
Volume: 16 Issue: 0 Year: 2022 Page: 1-7
Author(s): Igor José dos Santos Nascimento,Thiago Mendonça de Aquino,Edeildo Ferreira da Silva-Júnior

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

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 11 Issue: 4 Year: 2016 Page: 461-468
Author(s): Maryam Iman,Zeynab Khansefid,Asghar Davood

In Silico Study of Desmosdumotin as an Anticancer Agent: Homology Modeling, Docking and Molecular Dynamics Simulation Approach

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 13 Issue: 10 Year: 2013 Page: 1636-1644
Author(s): Changdev G. Gadhe,Gugan Kothandan,Seung Joo Cho

Research Article

Finding Novel Anti-carcinomas Compounds by Targeting SFRP4 Through Molecular Modeling, Docking and Dynamic Simulation Studies

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 2 Year: 2018 Page: 160-173
Author(s): M. Hassan,M. Azhar,Q. Abbas,H. Raza,A.A. Moustafa,S. Shahzadi,Z. Ashraf,S.Y. Seo

Research Article

Synthesis, Molecular Docking and Dynamics Simulation Studies of New 7-oxycoumarin Derivatives as Potential Antioxidant Agents

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1572-1587
Author(s): Nehad A. Abdel Latif,Rasha Z. Batran,Salwa F. Mohamed,Mohammed A Khedr,Mohamed I. Kobeasy,Sara A.F. Al- Shehri,Hanem M. Awad

Analysis of Wild-Type and Gly96Ala Mutant EPSP Synthase Structures via in Silico Docking with Inhibitors and Molecular Dynamics Simulation

Journal: Current Bioactive Compounds
Volume: 5 Issue: 2 Year: 2009 Page: 110-118
Author(s): Melissa S. Caetano, Teodorico C. Ramalho, Elaine F.F. da Cunha, Daniela Josa, Thais C.S. Souza

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