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Molecular Informatics|July 29, 2016
Structure-Based Pharmacophore Modeling from Multicomplex: a Comprehensive Pharmacophore Generation of Protein Kinase CK2 and Virtual Screening Based on it for Novel InhibitorsHao-Peng Sun, Jia Zhu, Fei-Hong Chen, et al.Molecular Informatics|July 29, 2016
MPO Inhibitors Selected by Virtual ScreeningAlberto Malvezzi, Raphael F Queiroz, Leandro de Rezende, et al.Molecular Informatics|July 29, 2016
Bioactive Molecules: Perfectly Shaped for Their Target?Matthias Wirth, Wolfgang H B SauerMolecular Informatics|July 29, 2016
Target-Driven Subspace Mapping Methods and Their Applicability Domain EstimationAxel J Soto, Gustavo E Vazquez, Marc Strickert, et al.Molecular Informatics|July 29, 2016
Tree and Hashing Data Structures to Speed up Chemical Searches: Analysis and ExperimentsRamzi Nasr, Thomas Kristensen, Pierre BaldiMolecular Informatics|July 29, 2016
SketchSort: Fast All Pairs Similarity Search for Large Databases of Molecular FingerprintsYasuo Tabei, Koji TsudaMolecular Informatics|July 29, 2016
Probabilistic Substructure Mining From Small-Molecule ScreensSayan Ranu, Bradley T Calhoun, Ambuj K Singh, et al.Molecular Informatics|July 29, 2016
Flat and Easy: 2D Depiction of Protein-Ligand ComplexesKatrin Stierand, Matthias RareyMolecular Informatics|July 29, 2016
Chemoinformatics as a Theoretical Chemistry DisciplineAlexandre Varnek, Igor I BaskinMolecular Informatics|July 29, 2016
Classification of Aurora-A Kinase Inhibitors Using Self-Organizing Map (SOM) and Support Vector Machine (SVM)Liyu Wang, Zhi Wang, Aixia Yan, et al.Pageof 101