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Molecular Informatics|August 2, 2016
Molecular Dynamics Simulations of G Protein-Coupled ReceptorsAgostino Bruno, Gabriele Costantino
Molecular Informatics|August 2, 2016
Consensus Computational Ligand-Based Design for the Identification of Novel Modulators of Human Estrogen Receptor AlphaPaul B McKay, Darren Fayne, Hans W Horn, et al.
Molecular Informatics|August 2, 2016
Towards a Realistic Representation in Surface-Based Pseudoreceptor Modeling: a PDB-Wide Analysis of Binding PocketsGregory L Wilson, Markus A Lill
Molecular Informatics|August 2, 2016
Deorphanization of Malonyl CoA:ACP Transacylase Drug Target in Plasmodium falciparum (PfFabD) Using Bacterial Antagonists: A 'Piggyback' Approach for Antimalarial Drug DiscoveryM Asha Latha Sreshty, Avadhesha Surolia, G Narahari Sastry, et al.
Molecular Informatics|August 2, 2016
Networks of ProteinProtein Interactions: From Uncertainty to Molecular DetailsJavier Garcia-Garcia, Jaume Bonet, Emre Guney, et al.
Molecular Informatics|August 2, 2016
Orthogonal PLS (OPLS) Modeling for Improved Analysis and Interpretation in Drug DesignLennart Eriksson, Josefin Rosén, Erik Johansson, et al.
Molecular Informatics|August 2, 2016
Computational Insights into ADAMTS4, ADAMTS5 and MMP13 Inhibitor SelectivityFederico Filomia, Puneet Saxena, Caterina Durante, et al.
Molecular Informatics|August 2, 2016
Comparative Occupancy Analysis (CoOAn) - A Straightforward and Directly Applicable 3D-QSAR Formalism to Extract Molecular Features Obligatory for Designing Potent LeadsJitender Verma, Alpeshkumar Malde, Santosh Khedkar, et al.
Molecular Informatics|August 2, 2016
Nearly no Scoring Function Without a Hansch-AnalysisNadine Schneider, Robert Klein, Gudrun Lange, et al.
Molecular Informatics|July 28, 2016
In Pursuit of Fully Flexible Protein-Ligand Docking: Modeling the Bilateral Mechanism of BindingAngela M Henzler, Matthias Rarey
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