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Publications by Santiago D. Villalba

Virtual-Screening Workflow Tutorials and Prospective Results From the Teach-Discover-Treat Competition 2014 Against Malaria

Molecular Biology

English

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Teach–Discover–Treat (TDT): Collaborative Computational Drug Discovery for Neglected Diseases

Journal of Molecular Graphics and Modelling

Computer Graphics

Theoretical Chemistry

Materials Chemistry

Computer-Aided Design

English

Virtual Screening and Validation of Potential Lead Compound From the Malaria Box Against Plasmodium Falciparum S7 and S19 Proteins

Open Access Journal of Pharmaceutical Research

English

Integrating Logic-Based Machine Learning and Virtual Screening to Discover New Drugs

Journal of Cheminformatics

Computer Graphics

Information Sciences

Theoretical Chemistry

Computer Science Applications

Computer-Aided Design

English

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening

Molecular Informatics

Organic Chemistry

Computer Science Applications

Molecular Medicine

Structural Biology

English

GCAC: Galaxy Workflow System for Predictive Model Building for Virtual Screening

BMC Bioinformatics

Applied Mathematics

Computer Science Applications

Structural Biology

Molecular Biology

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Design and Assessment of Online, Interactive Tutorials That Teach Science Process Skills

CBE Life Sciences Education

Molecular Biology

English

Screening the Medicines for Malaria Venture "Malaria Box" Against the Plasmodium Falciparum Aminopeptidases, M1, M17 and M18

Multidisciplinary

English

Virtual Ligand Screening Against Comparative Protein Structure Models

Methods in Molecular Biology

Molecular Biology

English

A Novel High Throughput Virtual Screening Protocol to Discover New Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors

Chemical and Pharmaceutical Bulletin

English