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Contents

Current Topics in Medicinal Chemistry, Volume 15 - Number 18


Editorial


Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design

, 15(18): 1768 - 1779

Aleksandar M. Veselinovic, Jovana B. Veselinovic, Jelena V. Zivkovic and Goran M. Nikolic


DOI: 10.2174/1568026615666150506151533



Computer-Aided Drug Design of Bioactive Natural Products

, 15(18): 1780 - 1800

Veda Prachayasittikul, Apilak Worachartcheewan, Watshara Shoombuatong, Napat Songtawee, Saw Simeon, Virapong Prachayasittikul and Chanin Nantasenamat


DOI: 10.2174/1568026615666150506151101



Multi-Target QSAR Approaches for Modeling Protein Inhibitors. Simultaneous Prediction of Activities Against Biomacromolecules Present in Gram-Negative Bacteria

, 15(18): 1801 - 1813

Alejandro Speck-Planche and M.N.D.S. Cordeiro


DOI: 10.2174/1568026615666150506144814



On the Origins of Hepatitis C Virus NS5B Polymerase Inhibitory Activity Using Machine Learning Approaches

, 15(18): 1814 - 1826

Apilak Worachartcheewan, Veda Prachayasittikul, Nuttapat Anuwongcharoen, Watshara Shoombuatong, Virapong Prachayasittikul and Chanin Nantasenamat


DOI: 10.2174/1568026615666150506151303



A Risk Assessment Tool for the Virtual Screening of Metal Oxide Nanoparticles through Enalos InSilicoNano Platform

, 15(18): 1827 - 1836

Georgia Melagraki and Antreas Afantitis


DOI: 10.2174/1568026615666150506144536



Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials

, 15(18): 1837 - 1844

Andrey A. Toropov, Robert Rallo and Alla P. Toropova


DOI: 10.2174/1568026615666150506152000



Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes

, 15(18): 1845 - 1858

H. Reis, B. Rasulev, M.G. Papadopoulos and J. Leszczynski


DOI: 10.2174/1568026615666150506150601



Ab Initio Studies of Anatase TiO2 (101) Surface-supported Au8 Clusters

, 15(18): 1859 - 1867

A. Mikolajczyk, H. P. Pinto, A. Gajewicz, T. Puzyn and J. Leszczynski


DOI: 10.2174/1568026615666150506151826




Metal Oxide Nanomaterials in Nanomedicine: Applications in Photodynamic Therapy and Potential Toxicity

, 15(18): 1887 - 1900

Xiaojia He, Winfred G. Aker, Ming-Ju Huang, John D. Watts and Huey-Min Hwang


DOI: 10.2174/1568026615666150506145251



Computational Study of Nanosized Drug Delivery from Cyclodextrins, Crown Ethers and Hyaluronan in Pharmaceutical Formulations

, 15(18): 1901 - 1913

Francisco Torrens and Gloria Castellano


DOI: 10.2174/1568026615666150506145619



Toxicity of 11 Metal Oxide Nanoparticles to Three Mammalian Cell Types In V itro

, 15(18): 1914 - 1929

Angela Ivask, Tiina Titma, Meeri Visnapuu, Heiki Vija, Aleksandr Kakinen, Mariliis Sihtmae, Suman Pokhrel, Lutz Madler, Margit Heinlaan, Vambola Kisand, Ruth Shimmo and Anne Kahru


DOI: 10.2174/1568026615666150506150109



Predicting Cell Association of Surface-Modified Nanoparticles Using Protein Corona Structure - Activity Relationships (PCSAR)

, 15(18): 1930 - 1937

Padmaja Kamath, Alberto Fernandez, Francesc Giralt and Robert Rallo


DOI: 10.2174/1568026615666150506152808




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