Contents

Current Computer-Aided Drug Design, Volume 12 - Number 4

Editorial

Editorial: Spilled Over Emerging Infectious Diseases Necessitate an Accelerated Drug Design and Discovery Program: Some Comments with Special Reference to Chemoinformatics and the Current Zika Virus Crisis

, 12(4): 251 - 252

Apurba K. Bhattacharjee and Subhash C. Basak


DOI: 10.2174/1871527315999160927145745




Editorial

Editorial

, 12(4): 253 - 254

Subhash C. Basak, Marjan Vrac ko and Frank A. Witzmann


DOI: 10.2174/157340991204161028155315




Review Article

Proton Hopping as the Nerve Conduction Message

, 12(4): 255 - 258

Lemont B. Kier


DOI: 10.2174/1573409912666160808092011





Research Article

Mathematical Nanotoxicoproteomics: Quantitative Characterization of Effects of Multi-walled Carbon Nanotubes (MWCNT) and TiO2 Nanobelts (TiO2-NB) on Protein Expression Patterns in Human Intestinal Cells

, 12(4): 259 - 264

Subhash C. Basak, Marjan Vracko and Frank A. Witzmann


DOI: 10.2174/1573409912666160824145722





Research Article

5-Year Trends in QSAR and its Machine Learning Methods

, 12(4): 265 - 271

Oleg T. Devinyak and Roman B. Lesyk


DOI: 10.2174/1573409912666160509121831





Research Article

A Computational Model for Docking of Noncompetitive Neuraminidase Inhibitors and Probing their Binding Interactions with Neuraminidase of Influenza Virus H5N1

, 12(4): 272 - 281

Anand S. Chintakrindi, Elvis A. F. Martis, Devanshi J. Gohil, Sweta T. Kothari, Abhay S. Chowdhary, Evans C. Coutinho and Meena A. Kanyalkar


DOI: 10.2174/1573409912666160713111242





Research Article

Screening and In Vitro Evaluation of Potential Plasmodium falciparum Leucyl Aminopeptidase Inhibitors

, 12(4): 282 - 293

Meenakshi Chaudhary, Vineeta Singh, Anup R. Anvikar and Shakti Sahi


DOI: 10.2174/1573409912666160722111053





Research Article

Exploring Intrinsic Dimensionality of Chemical Spaces for Robust QSAR Model Development: A Comparison of Several Statistical Approaches

, 12(4): 294 - 301

Subhabrata Majumdar and Subhash C. Basak


DOI: 10.2174/1573409912666160906111821





Research Article

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

, 12(4): 302 - 313

Anand Balupuri, Pavithra K. Balasubramanian and Seung J. Cho


DOI: 10.2174/1573409912666160901112720





Lemont B. Kier: Art, Science and Green Cheese

, 12(4): 314 - 324

Guillermo Restrepo


DOI: 10.2174/1573409912999160920141801




Acknowledgement

Acknowledgements to Reviewers

, 12(4): 325


DOI: 10.2174/157340991204161028164933




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