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Disambiguation of "García-Sosa, Alfonso T."

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Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase.

, , , and . Journal of Chemical Information and Modeling, 51 (10): 2595-2611 (2011)

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T. Ertl

T. Vietor

T. Maier

T. Maier

T. Maier

 

Other publications of authors with the same name

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models., , , , and . Journal of Computer-Aided Molecular Design, 18 (2): 89-100 (2004)Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking., , and . Journal of Computer-Aided Molecular Design, 32 (1): 211-224 (2018)Drug efficiency indices for improvement of molecular docking scoring functions., , and . Journal of Computational Chemistry, 31 (1): 174-184 (2010)Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies.. Journal of Chemical Information and Modeling, 53 (6): 1388-1405 (2013)Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets., and . Journal of Chemical Information and Modeling, 54 (11): 3172-3185 (2014)DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties., , , and . Journal of Chemical Information and Modeling, 52 (8): 2165-2180 (2012)Design of Multi-Binding-Site Inhibitors, Ligand Efficiency, and Consensus Screening of Avian Influenza H5N1 Wild-Type Neuraminidase and of the Oseltamivir-Resistant H274Y Variant., , and . Journal of Chemical Information and Modeling, 48 (10): 2074-2080 (2008)Structure-based calculation of drug efficiency indices., , , and . Bioinformatics, 23 (20): 2678-2685 (2007)Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands., , and . Journal of Chemical Information and Modeling, 45 (3): 624-633 (2005)Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase., , , and . Journal of Chemical Information and Modeling, 51 (10): 2595-2611 (2011)