Vincent Blay

United States

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Articles (15)

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2024

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2024

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2024

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2024

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2024

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2022

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2022

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2022

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2022

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2022

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2022

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2022

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2022

Collaborators (3)

Corey Hudson

Head of Data

The Align Foundation

UNITED STATES

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Stéphanie Philippot

Université de Lorraine

FRANCE

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Kwan Cheng

Williams Endowed Professor of Interdisciplinary Physics

Trinity University

UNITED STATES

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Vincent Blay

Research Interests

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Articles (15)

Exploring Tau Fibril-Disaggregating and Antioxidating Molecules Binding to Membrane-Bound Amyloid Oligomers Using Machine Learning-Enhanced Docking and Molecular Dynamics

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

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

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

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

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

Experimental and <i>In Silico</i> Analysis of TEM β-Lactamase Adaptive Evolution

Experimental and In Silico Analysis of TEM beta-Lactamase Adaptive Evolution

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

Combining DELs and machine learning for toxicology prediction

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

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

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

Electrodeposition of Cobalt Oxides on Carbon Nanotubes for Sensitive Bromhexine Sensing

MACAW: an accessible tool for molecular embedding and inverse molecular design

Collaborators (3)

Corey Hudson

Stéphanie Philippot

Kwan Cheng

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