Contents
Current Pharmaceutical Design, Volume 19 - Number 12
Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors
, 19(12): 2138 - 2147Jose 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 - 2163Maykel 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 - 2173Daimel 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 - 2182Jui-Chih Wang and Jung-Hsin Lin
DOI: 10.2174/1381612811319120005
Macromolecular Structure Comparison and Docking: An Algorithmic Review
, 19(12): 2183 - 2193Eric 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 - 2203Mohammad 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 - 2215LA 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 - 2236David 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 - 2244Omar Deeb, Sana Jawabreh and Mohammad Goodarzi
DOI: 10.2174/1381612811319120010
Editorial (Rational Drug Design with the Aid of Molecular Modeling and Bioinformatics)
, 19(12): 2245Yongliang 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 - 2258Xiliang 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 - 2268Zuojia 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 - 2281Ting 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 - 2292Xue 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 - 2307Ting 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 - 2317Xue 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 - 2325Lei 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 - 2333Yaxia Yuan, Jianfeng Pei and Luhua Lai
DOI: 10.2174/1381612811319120019
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