Alfonso T. García-Sosa
Orcid: 0000-0003-0542-4446
According to our database1,
Alfonso T. García-Sosa
authored at least 10 papers
between 2004 and 2018.
Collaborative distances:
Collaborative distances:
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Bibliography
2018
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., 2018
2014
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., 2014
2013
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., 2013
2012
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.
J. Chem. Inf. Model., 2012
2011
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., 2011
2010
J. Comput. Chem., 2010
2008
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., 2008
2007
2005
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., 2005
2004
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.
J. Comput. Aided Mol. Des., 2004