ISSN: 1875-5402 (Online)
ISSN: 1386-2073 (Print)

Volume 18, 10 Issues, 2015

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Combinatorial Chemistry & High Throughput Screening

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  • 23rd of 71 in Chemistry, Applied

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Rathnam Chaguturu
iDDPartners, 3 Edith Court
Princeton Junction
NJ 08550

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Upcoming Articles (E-Pub Abstracts ahead of Print)

A Ligand-Based Virtual Screening Approach to Identify Small Molecules as hERG Channel Activators
Elisa Giacomini, Rosa Buonfiglio, Matteo Masetti, Yuhong Wang, Gea-Ny Tseng, Marinella Roberti and Maurizio Recanatini
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Quantitative Structure-Activity-Relationships for Cellular Uptake of Surface-Modified Nanoparticles
Rong Liu, Robert Rallo, Muhammad Bilal and Yoram Cohen
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G-Protein Coupled Receptors (GPCRs): A Comprehensive Computational Perspective
M Ramesh and Mahmoud E. Soliman
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Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing
Ahmed Abdelaziz, Yurii Sushko, Sergii Novotarskyi, Robert Körner, Stefan Brandmaier and Igor V. Tetko
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Recent Progress in the Identification and Development of Anti-Malarial Agents using Virtual Screening based Approaches
Priyanka Shah, Sunita Tiwari and Mohammad Imran Siddiqi
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In-Silico Identification of Irreversible Cathepsin B Inhibitors as Anti-Cancer Agents: Virtual Screening, Covalent Docking Analysis and Molecular Dynamics Simulations
Mbatha Sbongile and Mahmoud E. S. Soliman
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Is there a Relationship between Sweet Taste and Seizures? Anticonvulsant and Proconvulsant Effects of Non-Nutritive Sweeteners
Mauricio E. Di Ianni, Andrea V. Enrique, María E. Del Valle, Blanca Aldana, María A. Rosella, Luisa Rocha, Eduardo A. Castro, Luis E. Bruno-Blanch and Alan Talevi
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Systematic comparison of the performance of different 2D and 3D ligand-based virtual screening methodologies to discover anticonvulsant drugs
Mauricio E. Di Ianni, Melisa E. Gantner, María E. Ruiz, Eduardo A. Castro, Luis E. Bruno-Blanch and Alan Talevi
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Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naïve Bayes Protein Target Prediction
Georgios Drakakis, Alexios Koutsoukas, Suzanne C. Brewerton, Michael J. Bodkin, David A. Evans and Andreas Bender
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Computer-aided discovery in antimicrobial research: In silico model for virtual screening of potent and safe anti-pseudomonas agents
Alejandro Speck-Planche and M. N. D. S. Cordeiro
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Molecular Docking to Identify Associations between Drugs and Class I Human Leukocyte Antigens for Predicting Idiosyncratic Drug Reactions
Heng Luo, Tingting Du, Peng Zhou, Lun Yang, Hu Mei, Huiwen Ng, Wenqian Zhang, Mao Shu, Weida Tong, Leming Shi, Donna L. Mendrick and Huixiao Hong
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Rational Drug Design Paradigms: The Odyssey for designing better Drugs
Tahsin Kellici, Dimitrios Ntountaniotis, Eleni Vrontaki, George Liapakis, Panagiota Moutevelis-Minakakis, George Kokotos, Sotiris Hadjikakou, Andreas G. Tzakos, Antreas Afantitis, Georgia Melagraki, Sharon Bryant, Thierry Langer, Vincenzo Di Marzo and Thomas Mavromoustakos
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The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials – two examples of application
Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinović, Jovana B. Veselinović, Karel Nesmerak, Ivan Raska, Pablo R. Duchowicz, Eduardo A. Castro, Valentin O. Kudyshkin, Danuta Leszczynska and Jerzy Leszczynski
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Exploring Structural Requirements of Imaging Agents against Aβ Plaques in Alzheimer’s Disease: A QSAR approach
Pravin Ambure and Kunal Roy
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LiSIs: An Online Scientific Workflow System for Virtual Screening
Christos C. Kannas, Ioanna Kalvari, George Lambrinidis, Christiana M. Neophytou, Christiana G. Savva, Ioannis Kirmitzoglou, Zinonas Antoniou, Kleo G. Achilleos, David Scherf, Chara A. Pitta, Christos A. Nicolaou, Emanuel Mikros, Vasilis J. Promponas, Clarissa Gerhauser, Rajendra G. Mehta, Andreas I. Constantinou and Constantinos S. Pattichis
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Determination of Antiproliferative Activities of Volatile Contents and HPLC Profiles of Dicranum scoparium (Dicranaceae, Bryophyta)
Gökhan Abay, Muhammed Altun, Serkan Koldaş, Ali Rıza Tüfekçi and Ibrahim Demirtas
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Ultrasonic Assisted Synthesis of Chromenes Catalyzed by Sodium Carbonate in Aqueous Media
Maryam Sabbaghan and Pegah Sofalgar
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