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Molecular Informatics|August 4, 2016
Bilinear Model for the Size-Dependency of the CYP3A4 Inhibitory Activity of Structurally Diverse CompoundsPeter Buchwald, Fumiyoshi Yamashita
Molecular Informatics|August 4, 2016
Application of EMBM to Structure-Based Design of Warheads for Protease InhibitorsTamar Traube, Michael Shokhen, Amnon Albeck
Molecular Informatics|August 4, 2016
Integrating Computational Modeling and Experimental Assay to Discover New Potent ACE-Inhibitory PeptidesYanrong Ren, Qiang Wang, Shaocheng Chen, et al.
Molecular Informatics|August 4, 2016
Prediction of ProteinProtein Interaction Pocket Using L-Shaped PLS Approach and Its Visualizations by Generative Topographic MappingKiyoshi Hasegawa, Kimito Funatsu
Molecular Informatics|August 4, 2016
Computational Prediction of DrugTarget Interactions Using Chemical, Biological, and Network FeaturesDong-Sheng Cao, Liu-Xia Zhang, Gui-Shan Tan, et al.
Molecular Informatics|August 4, 2016
Benchmarking a Wide Range of Chemical Descriptors for Drug-Target Interaction Prediction Using a Chemogenomic ApproachRyusuke Sawada, Masaaki Kotera, Yoshihiro Yamanishi
Molecular Informatics|August 4, 2016
Constructing a Foundational Platform Driven by Japan's K Supercomputer for Next-Generation Drug DesignJ B Brown, Masahiko Nakatsui, Yasushi Okuno
Molecular Informatics|August 4, 2016
The Complexation of the Anticancer Drug ThioTEPA with Methylated DNA Base Guanine: Combined Ab Initio and QTAIM InvestigationTymofii Yu Nikolaienko, Leonid A Bulavin, Leonid F Sukhodub
Molecular Informatics|August 4, 2016
Pharmacophore Mapping, In Silico Screening and Molecular Docking to Identify Selective Trypanosoma brucei Pteridine Reductase InhibitorsDivya Dube, Sujata Sharma, Tej P Singh, et al.
Molecular Informatics|August 4, 2016
eFindSite: Enhanced Fingerprint-Based Virtual Screening Against Predicted Ligand Binding Sites in Protein ModelsWei P Feinstein, Michal Brylinski
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