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Molecular Informatics|May 22, 2023
Feature importance-based interpretation of UMAP-visualized polymer spaceTakuya Ehiro
Molecular Informatics|March 5, 2023
A new set of KNIME nodes implementing the QPhAR algorithmStefan M Kohlbacher, Gökhan Ibis, Christian Permann, et al.
Molecular Informatics|August 2, 2016
Theoretical Analysis of Fas Ligand-Induced Apoptosis with an Ordinary Differential Equation ModelZhimin Shi, Yan Li, Zhihai Liu, et al.
Molecular Informatics|August 2, 2016
Pharmacophore Identification, Molecular Docking, Virtual Screening, and In Silico ADME Studies of Non-Nucleoside Reverse Transcriptase InhibitorsSomayeh Pirhadi, Jahan B Ghasemi
Molecular Informatics|August 2, 2016
Prediction of hERG Potassium Channel Blocking Actions Using Combination of Classification and Regression Based Models: A Mixed Descriptors ApproachSupratik Kar, Kunal Roy
Molecular Informatics|August 2, 2016
Free Energy Calculations by the Molecular Mechanics Poisson-Boltzmann Surface Area MethodNadine Homeyer, Holger Gohlke
Molecular 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 Banoglu
Molecular Informatics|August 2, 2016
A New Method for Mapping the Molecular Surface of a Protein Structure Using a Spherical Self-Organizing MapKiyoshi Hasegawa, Kimito Funatsu
Molecular 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.
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