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Molecular Informatics|August 4, 2016
Ring-System-Based Exhaustive Structure Generation for Inverse-QSPR/QSARTomoyuki Miyao, Hiromasa Kaneko, Kimito FunatsuMolecular Informatics|August 4, 2016
Clustering of 3D-Structure Similarity Based Network of Secondary Metabolites Reveals Their Relationships with Biological ActivitiesYuki Ohtana, Azian Azamimi Abdullah, Md Altaf-Ul-Amin, et al.Molecular Informatics|August 4, 2016
Discovery and Bioevaluation of Novel Pyrazolopyrimidine Analogs as Competitive Hsp90 Inhibitors Through Shape-Based Similarity ScreeningXiao-Li Xu, Hao-Peng Sun, Fang Liu, et al.Molecular Informatics|August 4, 2016
BCRP Inhibition: from Data Collection to Ligand-Based ModelingFloriane Montanari, Gerhard F EckerMolecular Informatics|August 4, 2016
The Calculation of Molecular Structural Similarity: Principles and PracticePeter WillettMolecular Informatics|August 4, 2016
Exploring Activity Cliffs from a Chemoinformatics PerspectiveJürgen BajorathMolecular Informatics|August 4, 2016
BioGPS: The Music for the Chemo- and Bioinformatics WalzerLydia Siragusa, Francesca Spyrakis, Laura Goracci, et al.Molecular Informatics|August 4, 2016
Network Analysis of Publications on Topological Indices from the Web of ScienceJernej Bodlaj, Vladimir BatageljMolecular Informatics|August 5, 2016
Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics SimulationTanaporn Uengwetwanit, Dina Robaa, Wolfgang SipplMolecular Informatics|August 5, 2016
Molecular Determinants for the Binding Mode of Alkylphosphocholines in the C2 Domain of PKCαMatheus M de Sá, Carlota O Rangel-YaguiPageof 102