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:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

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PhD thesis 
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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
Drug efficiency indices for improvement of molecular docking scoring functions.
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
Structure-based calculation of drug efficiency indices.
Bioinform., 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


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