Contents

Combinatorial Chemistry & High Throughput Screening, Volume 18 - Number 3

Meet our Editorial Board Members

, 18(3): 235

Antreas Afantitis and Georgia Melagraki


DOI: 10.2174/138620731803150423164455




Editorial

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

, 18(3): 236 - 237

Georgia Melagraki and Antreas Afantitis


DOI: 10.2174/138620731803150423131038




Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs

, 18(3): 238 - 256

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


DOI: 10.2174/1386207318666150305125638




Recent Progress in the Identification and Development of Anti-Malarial Agents Using Virtual Screening Based Approaches

, 18(3): 257 - 268

Priyanka Shah, Sunita Tiwari and Mohammad Imran Siddiqi


DOI: 10.2174/1386207318666150305154913




A Ligand-Based Virtual Screening Approach to Identify Small Molecules as hERG Channel Activators

, 18(3): 269 - 280

Elisa Giacomini, Rosa Buonfiglio, Matteo Masetti, Yuhong Wang, Gea-Ny Tseng, Marinella Roberti and Maurizio Recanatini


DOI: 10.2174/1386207318666150305121841




LiSIs: An Online Scientific Workflow System for Virtual Screening

, 18(3): 281 - 295

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


DOI: 10.2174/1386207318666150305123341




Molecular Docking to Identify Associations Between Drugs and Class I Human Leukocyte Antigens for Predicting Idiosyncratic Drug Reactions

, 18(3): 296 - 304

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


DOI: 10.2174/1386207318666150305144015




Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents

, 18(3): 305 - 314

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


DOI: 10.2174/1386207318666150305144249




Prediction of Drug Induced Liver Injury Using Molecular and Biological Descriptors

, 18(3): 315 - 322

Christophe Muller, Dumrongsak Pekthong, Eliane Alexandre, Gilles Marcou, Dragos Horvath, Lysiane Richert and Alexandre Varnek


DOI: 10.2174/1386207318666150305144650




Comparing Global and Local Likelihood Score Thresholds in Multiclass Laplacian-Modified Naive Bayes Protein Target Prediction

, 18(3): 323 - 330

Georgios Drakakis, Alexios Koutsoukas, Suzanne C. Brewerton, Michael J. Bodkin, David A. Evans and Andreas Bender


DOI: 10.2174/1386207318666150305145012




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