Article List

Editorial (Hot Topics: Molecular Modeling and QSAR Studies for Drug Design)
[ Vol. 19 , Issue. 12 ]
Author(s): Jose Correa-Basurto
Pages: 2137-2137 (1)
Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors
[ Vol. 19 , Issue. 12 ]
Author(s): Jose L. Medina-Franco and Jakyung Yoo
Pages: 2138-2147 (10)
Desirability-based Multi-criteria Virtual Screening of Selective Antimicrobial Cyclic β-Hairpin Cationic Peptidomimetics
[ Vol. 19 , Issue. 12 ]
Author(s): Maykel Cruz-Monteagudo, Yansy Romero, M. Natalia D.S. Cordeiro and Fernanda Borges
Pages: 2148-2163 (16)
FDA-approved Drugs Selected Using Virtual Screening Bind Specifically to G-quadruplex DNA
[ Vol. 19 , Issue. 12 ]
Author(s): Daimel Castillo-Gonzalez, Gisselle Perez-Machado, Aurore Guedin, Jean-Louis Mergny and Miguel-Angel Cabrera-Perez
Pages: 2164-2173 (10)
Scoring Functions for Prediction of Protein-Ligand Interactions
[ Vol. 19 , Issue. 12 ]
Author(s): Jui-Chih Wang and Jung-Hsin Lin
Pages: 2174-2182 (9)
Macromolecular Structure Comparison and Docking: An Algorithmic Review
[ Vol. 19 , Issue. 12 ]
Author(s): Eric Paquet and Herna L. Viktor
Pages: 2183-2193 (11)
Modeling of 2-Pyridin-3-yl-Benzo[d][1,3]Oxazin-4-one Derivatives by Several Conformational Searching Tools and Molecular Docking
[ Vol. 19 , Issue. 12 ]
Author(s): Mohammad Goodarzi, Alina Bora, Ana Borota, Simona Funar-Timofei, Sorin Avram and Yvan Vander Heyden
Pages: 2194-2203 (10)
Mapping Myeloperoxidase to Identify its Promiscuity Properties Using Docking and Molecular Dynamics Simulations
[ Vol. 19 , Issue. 12 ]
Author(s): LA Ramirez-Duran, MC Rosales-Hernandez, Maricarmen Hernandez-Rodriguez, Jessica Elena Mendieta-Wejebe, Jose Trujillo-Ferrara and Jose Correa-Basurto
Pages: 2204-2215 (12)
Computational Approaches for Ligand Discovery and Design in Class-A G Protein- Coupled Receptors
[ Vol. 19 , Issue. 12 ]
Author(s): David Rodriguez and Hugo Gutierrez-de-Teran
Pages: 2216-2236 (21)
Exploring QSARs of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) Tyrosine Kinase Inhibitors by MLR, PLS and PC-ANN
[ Vol. 19 , Issue. 12 ]
Author(s): Omar Deeb, Sana Jawabreh and Mohammad Goodarzi
Pages: 2237-2244 (8)
Editorial (Rational Drug Design with the Aid of Molecular Modeling and Bioinformatics)
[ Vol. 19 , Issue. 12 ]
Author(s): Yongliang Yang and Jin Wang
Pages: 2245-2245 (1)
Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity
[ Vol. 19 , Issue. 12 ]
Author(s): Xiliang Zheng, Zuojia Liu, Dan Li, Erkang Wang and Jin Wang
Pages: 2246-2258 (13)
Selective Induction of Apoptosis: Promising Therapy in Pancreatic Cancer
[ Vol. 19 , Issue. 12 ]
Author(s): Zuojia Liu, Dan Li, Xiliang Zheng, Erkang Wang and Jin Wang
Pages: 2259-2268 (10)
Role of Bivalent Cations in Structural Stabilities of New Drug Targets ——Vacciniarelated Kinases (VRK) from Molecular Dynamics Simulations
[ Vol. 19 , Issue. 12 ]
Author(s): Ting Fu, Hong Ren, Jiajing Zhang, Pengyu Ren, Istvan Enyedy and Guohui Li
Pages: 2269-2281 (13)
The Challenge to the Rule of Homology Modeling: Folding Mechanism Study of Protein GA and GB with High Sequence Identity but Different Native Structures
[ Vol. 19 , Issue. 12 ]
Author(s): Xue Wu, Zhong Jin, Zhilong Xiu and Guohui Li
Pages: 2282-2292 (11)
Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models
[ Vol. 19 , Issue. 12 ]
Author(s): Ting Fu, Zhong Jin, Zhilong Xiu and Guohui Li
Pages: 2293-2307 (15)
Exploring the Relationship between Sequences, Structures, Dynamical Behaviors and Functions of New Type Protein Drugs: DARPins
[ Vol. 19 , Issue. 12 ]
Author(s): Xue Wu, Yue Shi, Pengyu Ren, Deping Wang and Guohui Li
Pages: 2308-2317 (10)
Targeting the Nuclear Transport Machinery by Rational Drug Design
[ Vol. 19 , Issue. 12 ]
Author(s): Lei Mao and Yongliang Yang
Pages: 2318-2325 (8)
Binding Site Detection and Druggability Prediction of Protein Targets for Structure- Based Drug Design
[ Vol. 19 , Issue. 12 ]
Author(s): Yaxia Yuan, Jianfeng Pei and Luhua Lai
Pages: 2326-2333 (8)

Article List

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

Molecular Modeling and Virtual Screening of DNA Methyltransferase Inhibitors

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

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

Scoring Functions for Prediction of Protein-Ligand Interactions

Macromolecular Structure Comparison and Docking: An Algorithmic Review

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

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

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

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

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

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

Selective Induction of Apoptosis: Promising Therapy in Pancreatic Cancer

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

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

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

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

Targeting the Nuclear Transport Machinery by Rational Drug Design

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