Contents

Current Pharmaceutical Design, Volume 19 - Number 12

Editorial (Hot Topics: Molecular Modeling and QSAR Studies for Drug Design)

, 19(12): 2137

Jose Correa-Basurto


DOI: 10.2174/1381612811319120001




Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors

, 19(12): 2138 - 2147

Jose L. Medina-Franco and Jakyung Yoo


DOI: 10.2174/1381612811319120002




Desirability-based Multi-criteria Virtual Screening of Selective Antimicrobial Cyclic β-Hairpin Cationic Peptidomimetics

, 19(12): 2148 - 2163

Maykel Cruz-Monteagudo, Yansy Romero, M. Natalia D.S. Cordeiro and Fernanda Borges


DOI: 10.2174/1381612811319120003




FDA-approved Drugs Selected Using Virtual Screening Bind Specifically to G-quadruplex DNA

, 19(12): 2164 - 2173

Daimel Castillo-Gonzalez, Gisselle Perez-Machado, Aurore Guedin, Jean-Louis Mergny and Miguel-Angel Cabrera-Perez


DOI: 10.2174/1381612811319120004




Scoring Functions for Prediction of Protein-Ligand Interactions

, 19(12): 2174 - 2182

Jui-Chih Wang and Jung-Hsin Lin


DOI: 10.2174/1381612811319120005




Macromolecular Structure Comparison and Docking: An Algorithmic Review

, 19(12): 2183 - 2193

Eric Paquet and Herna L. Viktor


DOI: 10.2174/1381612811319120006




Modeling of 2-Pyridin-3-yl-Benzo[d][1,3]Oxazin-4-one Derivatives by Several Conformational Searching Tools and Molecular Docking

, 19(12): 2194 - 2203

Mohammad Goodarzi, Alina Bora, Ana Borota, Simona Funar-Timofei, Sorin Avram and Yvan Vander Heyden


DOI: 10.2174/1381612811319120007




Mapping Myeloperoxidase to Identify its Promiscuity Properties Using Docking and Molecular Dynamics Simulations

, 19(12): 2204 - 2215

LA Ramirez-Duran, MC Rosales-Hernandez, Maricarmen Hernandez-Rodriguez, Jessica Elena Mendieta-Wejebe, Jose Trujillo-Ferrara and Jose Correa-Basurto


DOI: 10.2174/1381612811319120008




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

, 19(12): 2216 - 2236

David Rodriguez and Hugo Gutierrez-de-Teran


DOI: 10.2174/1381612811319120009




Exploring QSARs of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) Tyrosine Kinase Inhibitors by MLR, PLS and PC-ANN

, 19(12): 2237 - 2244

Omar Deeb, Sana Jawabreh and Mohammad Goodarzi


DOI: 10.2174/1381612811319120010




Editorial (Rational Drug Design with the Aid of Molecular Modeling and Bioinformatics)

, 19(12): 2245

Yongliang Yang and Jin Wang


DOI: 10.2174/1381612811319120011




Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity

, 19(12): 2246 - 2258

Xiliang Zheng, Zuojia Liu, Dan Li, Erkang Wang and Jin Wang


DOI: 10.2174/1381612811319120012




Selective Induction of Apoptosis: Promising Therapy in Pancreatic Cancer

, 19(12): 2259 - 2268

Zuojia Liu, Dan Li, Xiliang Zheng, Erkang Wang and Jin Wang


DOI: 10.2174/1381612811319120013




Role of Bivalent Cations in Structural Stabilities of New Drug Targets ——Vacciniarelated Kinases (VRK) from Molecular Dynamics Simulations

, 19(12): 2269 - 2281

Ting Fu, Hong Ren, Jiajing Zhang, Pengyu Ren, Istvan Enyedy and Guohui Li


DOI: 10.2174/1381612811319120014




The Challenge to the Rule of Homology Modeling: Folding Mechanism Study of Protein GA and GB with High Sequence Identity but Different Native Structures

, 19(12): 2282 - 2292

Xue Wu, Zhong Jin, Zhilong Xiu and Guohui Li


DOI: 10.2174/1381612811319120015




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

, 19(12): 2293 - 2307

Ting Fu, Zhong Jin, Zhilong Xiu and Guohui Li


DOI: 10.2174/1381612811319120016




Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins

, 19(12): 2308 - 2317

Xue Wu, Yue Shi, Pengyu Ren, Deping Wang and Guohui Li


DOI: 10.2174/1381612811319120017




Targeting the Nuclear Transport Machinery by Rational Drug Design

, 19(12): 2318 - 2325

Lei Mao and Yongliang Yang


DOI: 10.2174/1381612811319120018




Binding Site Detection and Druggability Prediction of Protein Targets for Structure- Based Drug Design

, 19(12): 2326 - 2333

Yaxia Yuan, Jianfeng Pei and Luhua Lai


DOI: 10.2174/1381612811319120019




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