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ORCIDAlfonso T. García-Sosa
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Journal Articles
- 2018
[j10]Martin A. Olsson, Alfonso T. García-Sosa
, Ulf Ryde:
Binding affinities of the farnesoid X receptor in the D3R Grand Challenge 2 estimated by free-energy perturbation and docking. J. Comput. Aided Mol. Des. 32(1): 211-224 (2018)- 2014
- [j9]Alfonso T. García-Sosa, Uko Maran:
Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets. J. Chem. Inf. Model. 54(11): 3172-3185 (2014) - 2013
- [j8]Alfonso T. García-Sosa:
Hydration Properties of Ligands and Drugs in Protein Binding Sites: Tightly-Bound, Bridging Water Molecules and Their Effects and Consequences on Molecular Design Strategies. J. Chem. Inf. Model. 53(6): 1388-1405 (2013) - 2012
- [j7]Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran:
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties. J. Chem. Inf. Model. 52(8): 2165-2180 (2012) - 2011
- [j6]Alfonso T. García-Sosa, Sulev Sild, Kalev Takkis, Uko Maran:
Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase. J. Chem. Inf. Model. 51(10): 2595-2611 (2011) - 2010
- [j5]Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran:
Drug efficiency indices for improvement of molecular docking scoring functions. J. Comput. Chem. 31(1): 174-184 (2010) - 2008
- [j4]Alfonso T. García-Sosa, Sulev Sild, Uko Maran:
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. J. Chem. Inf. Model. 48(10): 2074-2080 (2008) - 2007
- [j3]Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson:
Structure-based calculation of drug efficiency indices. Bioinform. 23(20): 2678-2685 (2007) - 2005
- [j2]Alfonso T. García-Sosa, Stuart Firth-Clark, Ricardo L. Mancera:
Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands. J. Chem. Inf. Model. 45(3): 624-633 (2005) - 2004
- [j1]David G. Lloyd, Alfonso T. García-Sosa, Ian L. Alberts, Nikolay P. Todorov, Ricardo L. Mancera:
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models. J. Comput. Aided Mol. Des. 18(2): 89-100 (2004)
Coauthor Index
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