Search Result "MM-PBSA"


Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2293-2307
Author(s): Ting Fu,Zhong Jin,Zhilong Xiu,Guohui Li

Recent Advances in Protein−Ligand Interactions: Molecular Dynamics Simulations and Binding Free Energy

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha

Drug Design for Protein Kinases and Phosphatases: Flexible-Receptor Docking, Binding Affinity and Specificity, and Drug-Binding Kinetics

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 26 Year: 2013 Page: 4739-4754
Author(s): Chung F. Wong,Sneha Bairy

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

Network Medicine and High Throughput Screening

Journal: Current Drug Discovery Technologies
Volume: 10 Issue: 3 Year: 2013 Page: 182-194
Author(s): Robert E. Smith, Kevin Tran, Ralph H. Vocque

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

Expression and Purification of Optimized rolGLP-1, A Novel GLP-1 Analog, in Escherichia Coli BL21(DE3) and its Good Glucoregulatory Effect on Type 2 Diabetic Mice

Journal: Current Pharmaceutical Biotechnology
Volume: 14 Issue: 11 Year: 2013 Page: 985-994
Author(s): Baicheng Ma,Peipei Tu,Xingyu Zhao,Yaofang Zhang,Yu Wang,Chao Ma,Yanli Ji,Xiaodan Li,Syed A. Abbas,Minggang Li

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4276-4290
Author(s): Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Ornjira Aruksakunwong, Supot Hannongbua

Prion Chemical Biology: On the Road to Therapeutics?

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 19 Year: 2013 Page: 2441-2464
Author(s): Beining Chen,Mark Thompson,Jennifer Louth,Kai Guo

Structural Systems Pharmacology: A New Frontier in Discovering Novel Drug Targets

Journal: Current Drug Targets
Volume: 14 Issue: 9 Year: 2013 Page: 952-958
Author(s): Hepan Tan, Xiaoxia Ge, Lei Xie

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