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Molecular Informatics|August 2, 2016
Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area MethodNadine Homeyer, Holger GohlkeMolecular Informatics|August 2, 2016
From Molecular Docking to 3D-Quantitative Structure-Activity Relationships (3D-QSAR): Insights into the Binding Mode of 5-Lipoxygenase InhibitorsGokcen Eren, Antonio Macchiarulo, Erden BanogluMolecular Informatics|August 2, 2016
A New Method for Mapping the Molecular Surface of a Protein Structure Using a Spherical Self-Organizing MapKiyoshi Hasegawa, Kimito FunatsuMolecular Informatics|August 2, 2016
Identification of Novel Nitrosative Stress Inhibitors through Virtual Screening and Experimental EvaluationSuman Sirimulla, Rituraj Pal, Mrudula Raparla, et al.Molecular Informatics|August 2, 2016
QSPR Study of Valproic Acid and Its Functionalized DerivativesNieves C Comelli, Pablo R Duchowicz, Rosana M Lobayan, et al.Molecular Informatics|August 2, 2016
Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset ComparisonN Kireeva, I I Baskin, H A Gaspar, et al.Molecular Informatics|August 2, 2016
Multiple Kernel Learning for Drug DiscoveryNicholas C V Pilkington, Matthew W B Trotter, Sean B HoldenMolecular Informatics|August 2, 2016
Prospective Prediction of Antitarget Activity by Matched Molecular Pairs AnalysisDaniel J Warner, Matthew H Bridgland-Taylor, Clare E Sefton, et al.Molecular Informatics|August 2, 2016
A Novel QSPR Model for Prediction of Gas to Dimethyl Sulfoxide Solvation Enthalpy of Organic Compounds Based on Support Vector MachineHassan Golmohammadi, Zahra Dashtbozorgi, William E AcreeMolecular Informatics|August 2, 2016
Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV InhibitorsGülşah Çifci, Viktorya Aviyente, E Demet AktenPageof 102