Alfonso T. García-Sosa

Publication Activity (10 Years)

Years Active: 2004-2018
Publications (10 Years): 1

Top Topics

Grand Challenge

Drosophila Melanogaster

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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) (2018)
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) (2014)
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) (2013)
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) (2012)
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) (2011)
Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran
Drug efficiency indices for improvement of molecular docking scoring functions. J. Comput. Chem. 31 (1) (2010)
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) (2008)
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
Structure-based calculation of drug efficiency indices. Bioinform. 23 (20) (2007)
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) (2005)
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) (2004)