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Molecular Informatics|August 5, 2016
Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase α1Lucía Serrán-Aguilera, Roberto Nuti, Luisa C López-Cara, et al.
Molecular Informatics|August 5, 2016
Peptide Binding Prediction to Five Most Frequent HLA-DQ Proteins - a Proteochemometric ApproachIvan Dimitrov, Irini Doytchinova
Molecular Informatics|August 5, 2016
Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX ProjectFerran Sanz, Pau Carrió, Oriol López, et al.
Molecular Informatics|August 5, 2016
Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering ProcedureKalev Takkis, Alfonso T García-Sosa, Sulev Sild
Molecular Informatics|August 5, 2016
NMR-Assisted Molecular Docking MethodologiesMattia Sturlese, Massimo Bellanda, Stefano Moro
Molecular Informatics|August 5, 2016
Method for Systematic Assessment of Chemical Changes in Molecular Scaffolds with Conserved Topology and Application to the Analysis of Scaffold-Activity RelationshipsYe Hu, Bijun Zhang, Jürgen Bajorath
Molecular Informatics|August 5, 2016
Identification and Validation Novel of VIM-2 Metallo-β-lactamase Tripeptide InhibitorsJing Xiao, Mi Fang, Yun Shi, et al.
Molecular Informatics|August 5, 2016
Designing Hydroxamates and Reversed Hydroxamates to Inhibit Zinc-containing Proteases but not Cytochrome P450s: Insights from Quantum Mechanics and Protein-ligand Crystal StructuresCharlotte Barker, Iva Lukac, Andrew G Leach
Molecular Informatics|August 5, 2016
Predictive QSPR Modelling for the Second Virial Coefficient of the Pure Organic CompoundsE Mokshyna, P G Polishchuk, V I Nedostup, et al.
Molecular Informatics|August 5, 2016
Structural Models for the Design of PKMzeta Inhibitors with Neurobiological IndicationsPriyanka Purkayastha, Reshma Alokam, Aruna Malapati, et al.
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