Publicacions (40) Publicacions de VINCENT BLAY ROGER

2024

  1. AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening

    Journal of Chemical Information and Modeling, Vol. 64, Núm. 9, pp. 3779-3789

  2. Enhancing Glucose Biosensing with Graphene Oxide and Ferrocene-Modified Linear Poly(ethylenimine)

    Biosensors, Vol. 14, Núm. 4

  3. Natural hydrogen in the energy transition: Fundamentals, promise, and enigmas

    Renewable and Sustainable Energy Reviews, Vol. 189

2023

  1. Co-deposition of Graphene Oxide and Silver Nanoparticles for the Voltammetric Sensing of Chlorpheniramine

    Electrocatalysis, Vol. 14, Núm. 4, pp. 648-658

  2. From intuition to AI: evolution of small molecule representations in drug discovery

    Briefings in bioinformatics, Vol. 25, Núm. 1

  3. Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings

    Journal of Enzyme Inhibition and Medicinal Chemistry, Vol. 38, Núm. 1, pp. 24-35

  4. SCORCH: Improving structure-based virtual screening with machine learning classifiers, data augmentation, and uncertainty estimation

    Journal of Advanced Research, Vol. 46, pp. 135-147

2022

  1. A facile method for generating polypyrrole microcapsules and their application in electrochemical sensing

    Microchimica Acta, Vol. 189, Núm. 11

  2. Combining DELs and machine learning for toxicology prediction

    Drug Discovery Today, Vol. 27, Núm. 11

  3. Comparison of ATP-binding pockets and discovery of homologous recombination inhibitors

    Bioorganic and Medicinal Chemistry, Vol. 70

  4. Electrodeposition of Cobalt Oxides on Carbon Nanotubes for Sensitive Bromhexine Sensing

    Molecules, Vol. 27, Núm. 13

  5. Evidence of new Ni-O-K catalytic sites with superior stability for methane dry reforming

    Applied Catalysis B: Environmental, Vol. 307

  6. Experimental and in Silico Analysis of TEM β-Lactamase Adaptive Evolution

    ACS Infectious Diseases, Vol. 8, Núm. 12, pp. 2451-2463

  7. MACAW: An Accessible Tool for Molecular Embedding and Inverse Molecular Design

    Journal of Chemical Information and Modeling, Vol. 62, Núm. 15, pp. 3551-3564

  8. Sensing Materials: Enzymes and Aptamers

    Encyclopedia of Sensors and Biosensors: Volume 1-4, First Edition (Elsevier), pp. 413-434

  9. Wiring Xanthine Oxidase Using an Osmium-Complex-Modified Polymer for Application in Biosensing.

    ChemElectroChem, Vol. 9, Núm. 11

2021

  1. Bio-inspired Ni dinuclear complexes as heterogeneous catalysts for hydrogen evolution

    Chemical Engineering Journal, Vol. 420

  2. Development of a Sensitive Self-Powered Glucose Biosensor Based on an Enzymatic Biofuel Cell

    Biosensors, Vol. 11, Núm. 1

  3. Influences of chemical functionalities on crystal structures and electrochemical properties of dihydro-benzoxazine dimer derivatives

    Crystals, Vol. 11, Núm. 8

  4. Machine learning study of the molecular drivers of natural product prices

    Biofuels, Bioproducts and Biorefining, Vol. 15, Núm. 6, pp. 1820-1834