Contents

Combinatorial Chemistry & High Throughput Screening, Volume 18 - Number 4

Meet Our Editorial Board Member

, 18(4): 331

Gerald Henry Lushington


DOI: 10.2174/138620731804150430095831




Editorial

Editorial (Thematic Issue: Advances in Cheminformatics: Drug Discovery, Computational Toxicology and Nanomaterials (Part II))

, 18(4): 333 - 334

Antreas Afantitis and Georgia Melagraki


DOI: 10.2174/138620731804150430100012




Is There a Relationship Between Sweet Taste and Seizures? Anticonvulsant and Proconvulsant Effects of Non-Nutritive Sweeteners

, 18(4): 335 - 345

Mauricio E. Di Ianni, Andrea V. Enrique, Maria E. Del Valle, Blanca Aldana, María A. Rosella, Luisa Rocha, Eduardo A. Castro, Luis E. Bruno-Blanch and Alan Talevi


DOI: 10.2174/1386207318666150305154210




G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective

, 18(4): 346 - 364

M. Ramesh and Mahmoud E. Soliman


DOI: 10.2174/1386207318666150305155545




Quantitative Structure-Activity Relationships for Cellular Uptake of Surface-Modified Nanoparticles

, 18(4): 365 - 375

Rong Liu, Robert Rallo, Muhammad Bilal and Yoram Cohen


DOI: 10.2174/1386207318666150306105525




The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application

, 18(4): 376 - 386

Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinovic, Jovana B. Veselinovic, Karel Nesmerak, Ivan Raska, Pablo R. Duchowicz, Eduardo A. Castro, Valentin O. Kudyshkin, Danuta Leszczynska and Jerzy Leszczynski


DOI: 10.2174/1386207318666150305125044




Systematic Comparison of the Performance of Different 2D and 3D Ligand-Based Virtual Screening Methodologies to Discover Anticonvulsant Drugs

, 18(4): 387 - 398

Mauricio E. Di Ianni, Melisa E. Gantner, María E. Ruiz, Eduardo A. Castro, Luis E. Bruno-Blanch and Alan Talevi


DOI: 10.2174/1386207318666150305151420




In Silico Identification of Irreversible Cathepsin B Inhibitors as Anti- Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations

, 18(4): 399 - 410

Mbatha Sbongile and Mahmoud E.S. Soliman


DOI: 10.2174/1386207318666150305154621




Exploring Structural Requirements of Imaging Agents Against Aβ Plaques in Alzheimer’s Disease: A QSAR Approach

, 18(4): 411 - 419

Pravin Ambure and Kunal Roy


DOI: 10.2174/1386207318666150305124225




Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing

, 18(4): 420 - 438

Ahmed Abdelaziz, Yurii Sushko, Sergii Novotarskyi, Robert Korner, Stefan Brandmaier and Igor V. Tetko


DOI: 10.2174/1386207318666150305155255




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