Search Result "MM-PB/GBSA"


Research Article

Anti-COVID-19 Potential of Withaferin-A and Caffeic Acid Phenethyl Ester

Journal: Current Topics in Medicinal Chemistry
Volume: 24 Issue: 9 Year: 2024 Page: 830-842
Author(s): Anissa Nofita Sari,Sunil C. Kaul

Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis

Research Article

Comparative Dynamic Features of Apo and Bound MDM2 ProteinReveal the Mechanism of Inhibitor Recognition for Anti-CancerActivity

Journal: Current Medicinal Chemistry
Volume: 30 Issue: 10 Year: 2023 Page: 1193-1206
Author(s): Mahmoud E.S. Soliman

Discovery of Novel CK2 Leads by Cross-Docking Based Virtual Screening

Journal: Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2014 Page: 628-639
Author(s): Haopeng Sun, Xiaowen Wu, Xiaoli Xu, Zhengyu Jiang, Zongliang Liu, Qidong You

Research Article

Synthesis and Molecular Simulation Studies of Mandelic Acid Peptidomimetic Derivatives as Aminopeptidase N Inhibitors

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 0 Year: 2020 Page: 1-8
Author(s): Jiawei Chen,Qiaoli Lv,Guogang Tu

A Review of Monoamine Transporter-Ligand Interactions

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 556-568
Author(s): Kalyan Immadisetty,Jeffry D. Madura

Computational Approaches for Ligand Discovery and Design in Class-A G Protein- Coupled Receptors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2216-2236
Author(s): David Rodriguez,Hugo Gutierrez-de-Teran

Computer-Aided Design, Synthesis, and Biological Activity Evaluation of Potent Fusion Inhibitors Targeting HIV-1 gp41

Journal: Medicinal Chemistry
Volume: 7 Issue: 4 Year: 2011 Page: 309-316
Author(s): Jian Jun Tan, Bin Zhang, Xiao Jing Cong, Lei Fu Yang, Bin Liu, Ren Kong, Zhi Yao Kui, Cun Xin Wang, Li Ming Hu

Computational Studies on the Truncation of N-terminal Fragment of OspA Antigen of Borrelia burgdorferi: Towards Designing a Second- Generation Vaccine Against Lyme Disease

Journal: Current Proteomics
Volume: 11 Issue: 4 Year: 2014 Page: 264-280
Author(s): Dieudonne Mutangana,Ramesh K. V.,Maithri S. K.

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

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