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Alfonso T García-Sosa

Showing results (1-10 of 49) with videos related to

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Molecules (Basel, Switzerland)|March 3, 2021
Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based FeaturesAlfonso T García-Sosa
Journal of Chemical Information and Modeling|May 14, 2013
Hydration properties of ligands and drugs in protein binding sites: tightly-bound, bridging water molecules and their effects and consequences on molecular design strategiesAlfonso T García-Sosa
Future Medicinal Chemistry|October 5, 2019
Benford's law in medicinal chemistry: Implications for drug designAlfonso T García-Sosa
Expert Opinion on Drug Discovery|November 3, 2023
Benford's Law and distributions for better drug designAlfonso T García-Sosa
Journal of Chemical Information and Modeling|October 11, 2014
Improving the use of ranking in virtual screening against HIV-1 integrase with triangular numbers and including ligand profiling with antitargetsAlfonso T García-Sosa, Uko Maran
International Journal of Molecular Sciences|July 2, 2021
Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive SubstancesAlfonso T García-Sosa, Uko Maran
Journal of Molecular Modeling|December 24, 2005
The effect of a tightly bound water molecule on scaffold diversity in the computer-aided de novo ligand design of CDK2 inhibitorsAlfonso T García-Sosa, Ricardo L Mancera
Molecular Informatics|July 28, 2016
Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein ComplexAlfonso T García-Sosa, Ricardo L Mancera
Journal of Molecular Graphics & Modelling|July 25, 2017
Chemical structure and correlation analysis of HIV-1 NNRT and NRT inhibitors and database-curated, published inhibition constants with chemical structure in diverse datasetsBirgit Viira, Alfonso T García-Sosa, Uko Maran
Molecular Informatics|August 5, 2016
Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering ProcedureKalev Takkis, Alfonso T García-Sosa, Sulev Sild
Pageof 5

Showing results (1-10 of 49) with videos related to

Sort By:
Pageof 5
Molecules (Basel, Switzerland)|March 3, 2021
Androgen Receptor Binding Category Prediction with Deep Neural Networks and Structure-, Ligand-, and Statistically Based FeaturesAlfonso T García-Sosa
Journal of Chemical Information and Modeling|May 14, 2013
Hydration properties of ligands and drugs in protein binding sites: tightly-bound, bridging water molecules and their effects and consequences on molecular design strategiesAlfonso T García-Sosa
Future Medicinal Chemistry|October 5, 2019
Benford's law in medicinal chemistry: Implications for drug designAlfonso T García-Sosa
Expert Opinion on Drug Discovery|November 3, 2023
Benford's Law and distributions for better drug designAlfonso T García-Sosa
Journal of Chemical Information and Modeling|October 11, 2014
Improving the use of ranking in virtual screening against HIV-1 integrase with triangular numbers and including ligand profiling with antitargetsAlfonso T García-Sosa, Uko Maran
International Journal of Molecular Sciences|July 2, 2021
Combined Naïve Bayesian, Chemical Fingerprints and Molecular Docking Classifiers to Model and Predict Androgen Receptor Binding Data for Environmentally- and Health-Sensitive SubstancesAlfonso T García-Sosa, Uko Maran
Journal of Molecular Modeling|December 24, 2005
The effect of a tightly bound water molecule on scaffold diversity in the computer-aided de novo ligand design of CDK2 inhibitorsAlfonso T García-Sosa, Ricardo L Mancera
Molecular Informatics|July 28, 2016
Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein ComplexAlfonso T García-Sosa, Ricardo L Mancera
Journal of Molecular Graphics & Modelling|July 25, 2017
Chemical structure and correlation analysis of HIV-1 NNRT and NRT inhibitors and database-curated, published inhibition constants with chemical structure in diverse datasetsBirgit Viira, Alfonso T García-Sosa, Uko Maran
Molecular Informatics|August 5, 2016
Virtual Screening for HIV Protease Inhibitors Using a Novel Database Filtering ProcedureKalev Takkis, Alfonso T García-Sosa, Sulev Sild
Pageof 5